{
    "archetype": {
        "ID": "GS00029",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAc",
        "iupac": "GlcNAc(b1-2)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)-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": "G81253FL",
        "wurcs": "WURCS=2.0/4,8,7/[u2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4-2-2/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1",
        "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:a-dman-HEX-1:5\n10b:b-dglc-HEX-1:5\n11s:n-acetyl\n12b:b-dglc-HEX-1:5\n13s: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\n8:5o(6+1)9d\n9:9o(2+1)10d\n10:10d(2+1)11n\n11:9o(6+1)12d\n12:12d(2+1)13n\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](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": "A3",
        "mass": 1519.57,
        "motifs": [
            {
                "motif": "G00030MO",
                "motif_label": "N-Glycan complex"
            }
        ],
        "termini": [
            "GlcNAc(b1-2)",
            "GlcNAc(b1-6)"
        ],
        "components": {
            "GlcNAc": 5,
            "Man": 3
        },
        "composition": {
            "Hex": 3,
            "HexNAc": 5
        },
        "rot_bonds": 27,
        "hbond_donor": 26,
        "hbond_acceptor": 41,
        "entropy": 12.956709251640167,
        "clusters": {
            "Cluster 0": 31.96,
            "Cluster 1": 25.85,
            "Cluster 2": 19.13,
            "Cluster 3": 17.1,
            "Cluster 4": 5.96
        },
        "coverage_clusters": {
            "Cluster 0": 17.495,
            "Cluster 1": 14.6975,
            "Cluster 2": 13.215,
            "Cluster 3": 12.085,
            "Cluster 4": 11.14,
            "Cluster 5": 4.71,
            "Cluster 6": 4.2475,
            "Cluster 7": 3.8,
            "Cluster 8": 3.295,
            "Cluster 9": 3.19,
            "Cluster 10": 3.1775,
            "Cluster 11": 1.4525,
            "Cluster 12": 1.425,
            "Cluster 13": 1.3175,
            "Cluster 14": 1.2925,
            "Cluster 15": 1.0875,
            "Cluster 16": 1.0825,
            "Cluster 17": 0.48,
            "Cluster 18": 0.2575,
            "Cluster 19": 0.2125,
            "Cluster 20": 0.195,
            "Cluster 21": 0.05,
            "Cluster 22": 0.05,
            "Cluster 23": 0.025,
            "Cluster 24": 0.02
        },
        "silhouette_scores": {
            "2": 0.3649853363008445,
            "3": 0.31503741013946135,
            "4": 0.2986143685422183,
            "5": 0.22865190856506723,
            "6": 0.20085141758885466,
            "7": 0.2708115931761619,
            "8": 0.2584804399595273
        },
        "coverage_clusters_per_main": {
            "0": [
                1,
                2,
                4,
                16,
                21
            ],
            "1": [
                5,
                6,
                7,
                12,
                15,
                22
            ],
            "2": [
                0,
                9,
                11,
                17,
                18,
                19,
                20,
                23,
                24
            ],
            "3": [],
            "4": [
                3,
                8,
                10,
                13,
                14
            ]
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.1564655475403692,
                0.09905686946408852,
                0.07015681797507145,
                0.05728500654649044,
                0.05288948601455667,
                0.04359263390539449,
                0.028854905266303896,
                0.026946262908326083,
                0.025285185781855478,
                0.021781794198125457
            ],
            "cumulative_variance": [
                0.1564655475403692,
                0.2555224170044577,
                0.32567923497952916,
                0.3829642415260196,
                0.4358537275405763,
                0.47944636144597075,
                0.5083012667122746,
                0.5352475296206007,
                0.5605327154024562,
                0.5823145096005816
            ],
            "n_components": 10
        },
        "length": 4.5,
        "package": "AMBER",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "200"
    },
    "alpha": {
        "ID": "GS00029",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "iupac": "GlcNAc(b1-2)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)-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": "G23849BG",
        "wurcs": "WURCS=2.0/4,8,7/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4-2-2/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1"
    },
    "beta": {
        "ID": "GS00029",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "iupac": "GlcNAc(b1-2)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)-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": "G10219AA",
        "wurcs": "WURCS=2.0/3,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-3-1-1/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1"
    },
    "search_meta": {
        "common_names": [
            "A3"
        ],
        "description": "",
        "keywords": [
            "N-Glycan"
        ]
    }
}