Glycoside
...
GD142096

Name:
4-{[2-({2-[(2-{[2-amino-1-hydroxy-3-({4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)propylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxyethylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}-4-[(1-carboxy-2-hydroxypropyl)-C-hydroxycarbonimidoyl]butanoic acid

Formula:
C35H57O24N7

Smiles:
CC(O)=NC1C(OCC(N)C(O)=NC(CO)C(O)=NCC(O)=NC(CC(=O)O)C(O)=NC(CCC(=O)O)C(O)=NC(C(=O)O)C(C)O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC(O)C(N=C(O)C(CCC(=O)O)N=C(O)C(CC(=O)O)N=C(O)CN=C(O)C(CO)N=C(O)C(N)CO)C(=O)O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 2
HBD: 19 FractionCSP3: 0.74
AlogP: -6.01 Num_rotatable_bonds: 26
MolWt: 959.87 Num_heavy_atoms: 66
TPSA: 532.22 NumAromaticRings: 0

Unique Aglycone
AD57198
Formula: C21H34O14N6

Smiles:
CC(O)C(N=C(O)C(CCC(=O)O)N=C(O)C(CC(=O)O)N=C(O)CN=C(O)C(CO)N=C(O)C(N)CO)C(=O)O
HBA: 20 RingCount: 0
HBD: 13 FractionCSP3: 0.62
AlogP: -2.64 Num_rotatable_bonds: 19
MolWt: 594.53 Num_heavy_atoms: 41
TPSA: 361.56 NumAromaticRings: 0

Sugarmoiety
SD06354

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O