Glycoside
...
GD126628

Name:
2-amino-3-({1-[4-({2-[(3-{[3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-{[3-hydroxy-4-({2-hydroxy-1-[(2-{4-[4-(C-hydroxycarbonimidoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-4-methylbutan-2-yl]-C-hydroxycarbonimidoyl}-2-(1H-imidazol-5-yl)ethyl}-C-hydroxycarbonimidoyl)-6-imino-1,6-dihydropyrimidin-2-yl]-2-(C-hydroxycarbonimidoyl)ethyl}amino)propanoic acid

Formula:
C49H70O22N16S2

Smiles:
CC(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c1cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=O)O)n1)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(=N)O)C1O)c1cnc[nH]1)C(O)=NCCc1nc(-c2nc(C(=N)O)cs2)cs1

Aglycone:
CC(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c1cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=O)O)n1)C(O)c1cnc[nH]1)C(O)=NCCc1nc(-c2nc(C(=N)O)cs2)cs1

Sugarmoiety:
N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 6
HBD: 25 FractionCSP3: 0.57
AlogP: -3.14 Num_rotatable_bonds: 31
MolWt: 1299.32 Num_heavy_atoms: 89
TPSA: 652.93 NumAromaticRings: 4

Unique Aglycone
AD51252
Formula: C36H49O11N15S2

Smiles:
CC(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c1cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=O)O)n1)C(O)c1cnc[nH]1)C(O)=NCCc1nc(-c2nc(C(=N)O)cs2)cs1
HBA: 26 RingCount: 4
HBD: 18 FractionCSP3: 0.44
AlogP: 0.7 Num_rotatable_bonds: 24
MolWt: 932.02 Num_heavy_atoms: 64
TPSA: 461.55 NumAromaticRings: 4

Sugarmoiety
SD05420

N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O