{
    "archetype": {
        "ID": "GS00030",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAc",
        "iupac": "GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc",
        "iupac_extended": "β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcNAc",
        "glytoucan": "G90950UC",
        "wurcs": "WURCS=2.0/4,9,8/[u2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-2-4-2-2/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g2-h1_g6-i1",
        "glycoct": "RES\n1b:b-dglc-HEX-1:5\n2s:n-acetyl\n3b:b-dglc-HEX-1:5\n4s:n-acetyl\n5b:b-dman-HEX-1:5\n6b:a-dman-HEX-1:5\n7b:b-dglc-HEX-1:5\n8s:n-acetyl\n9b:b-dglc-HEX-1:5\n10s:n-acetyl\n11b:a-dman-HEX-1:5\n12b:b-dglc-HEX-1:5\n13s:n-acetyl\n14b:b-dglc-HEX-1:5\n15s:n-acetyl\nLIN\n1:1d(2+1)2n\n2:1o(4+1)3d\n3:3d(2+1)4n\n4:3o(4+1)5d\n5:5o(3+1)6d\n6:6o(2+1)7d\n7:7d(2+1)8n\n8:6o(4+1)9d\n9:9d(2+1)10n\n10:5o(6+1)11d\n11:11o(2+1)12d\n12:12d(2+1)13n\n13:11o(6+1)14d\n14:14d(2+1)15n\n",
        "smiles": "O1C(O)[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1CO",
        "oxford": "A4",
        "mass": 1722.65,
        "motifs": [
            {
                "motif": "G00030MO",
                "motif_label": "N-Glycan complex"
            }
        ],
        "termini": [
            "GlcNAc(b1-2)",
            "GlcNAc(b1-6)",
            "GlcNAc(b1-4)"
        ],
        "components": {
            "GlcNAc": 6,
            "Man": 3
        },
        "composition": {
            "Hex": 3,
            "HexNAc": 6
        },
        "rot_bonds": 31,
        "hbond_donor": 29,
        "hbond_acceptor": 46,
        "entropy": 12.940163086335877,
        "clusters": {
            "Cluster 0": 27.32,
            "Cluster 1": 27.15,
            "Cluster 2": 19.17,
            "Cluster 3": 16.23,
            "Cluster 4": 10.13
        },
        "coverage_clusters": {
            "Cluster 0": 11.555,
            "Cluster 1": 11.16,
            "Cluster 2": 9.9525,
            "Cluster 3": 8.3575,
            "Cluster 4": 8.005,
            "Cluster 5": 7.88,
            "Cluster 6": 5.675,
            "Cluster 7": 4.515,
            "Cluster 8": 3.9,
            "Cluster 9": 3.635,
            "Cluster 10": 3.4475,
            "Cluster 11": 3.2325,
            "Cluster 12": 2.5875,
            "Cluster 13": 2.565,
            "Cluster 14": 2.23,
            "Cluster 15": 2.03,
            "Cluster 16": 1.725,
            "Cluster 17": 1.6975,
            "Cluster 18": 1.5475,
            "Cluster 19": 1.205,
            "Cluster 20": 0.9175,
            "Cluster 21": 0.7025,
            "Cluster 22": 0.6675,
            "Cluster 23": 0.5025,
            "Cluster 24": 0.3075
        },
        "silhouette_scores": {
            "2": 0.34413179515103104,
            "3": 0.369044820146182,
            "4": 0.3570590339757086,
            "5": 0.3280269470186557,
            "6": 0.3437516365052596,
            "7": 0.28647062916586835,
            "8": 0.3488409783427711
        },
        "coverage_clusters_per_main": {
            "0": [
                1,
                5,
                14,
                18,
                19,
                24
            ],
            "1": [
                7,
                15,
                21
            ],
            "2": [
                3,
                9,
                13,
                22
            ],
            "3": [
                0,
                6,
                10,
                12,
                20
            ],
            "4": [
                2,
                4,
                8,
                11,
                16,
                17,
                23
            ]
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.14234873332559297,
                0.09183704544880714,
                0.07502047161668299,
                0.05827786048939353,
                0.05174998448728829,
                0.04502039236490608,
                0.037836199870871536,
                0.033154725478519616,
                0.0298657898391114,
                0.021929453620254974
            ],
            "cumulative_variance": [
                0.14234873332559297,
                0.2341857787744001,
                0.30920625039108307,
                0.3674841108804766,
                0.4192340953677649,
                0.464254487732671,
                0.5020906876035425,
                0.5352454130820621,
                0.5651112029211734,
                0.5870406565414285
            ],
            "n_components": 10
        },
        "length": 4.0,
        "package": "AMBER",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "200"
    },
    "alpha": {
        "ID": "GS00030",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "iupac": "GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc(a1-",
        "iupac_extended": "β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→",
        "glytoucan": "G62941VF",
        "wurcs": "WURCS=2.0/4,9,8/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-2-4-2-2/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g2-h1_g6-i1"
    },
    "beta": {
        "ID": "GS00030",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-4[DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "iupac": "GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc(b1-",
        "iupac_extended": "β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→",
        "glytoucan": "G20030CU",
        "wurcs": "WURCS=2.0/3,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-1-3-1-1/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g2-h1_g6-i1"
    },
    "search_meta": {
        "common_names": [
            "A4"
        ],
        "description": "",
        "keywords": [
            "N-Glycan"
        ]
    }
}