Glycoside
...
GD121664

Name:
4-{[5-amino-1-({1-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-5-(C-hydroxycarbonimidoyl)pentyl]-C-hydroxycarbonimidoyl}-2-[(2-{[2-({2,5-dihydroxy-3-[(C-hydroxycarbonimidoyl)methyl]-6-(hydroxymethyl)oxan-4-yl}oxy)-1-hydroxypropylidene]amino}-1-hydroxypropylidene)amino]butanoic acid

Formula:
C32H54O16N8

Smiles:
CC(N=C(O)C(C)N=C(O)C(CCCC(N)C(=N)O)N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)OC1C(O)C(CO)OC(O)C1CC(=N)O)C(=O)O)C(=O)O

Aglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O

Sugarmoiety:
N=C(O)CC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 1
HBD: 16 FractionCSP3: 0.72
AlogP: 0.04 Num_rotatable_bonds: 24
MolWt: 806.82 Num_heavy_atoms: 56
TPSA: 430.88 NumAromaticRings: 0

Unique Aglycone
AD46487
Formula: C24H41O11N7

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O
HBA: 18 RingCount: 0
HBD: 12 FractionCSP3: 0.67
AlogP: 1.03 Num_rotatable_bonds: 19
MolWt: 603.63 Num_heavy_atoms: 42
TPSA: 327.88 NumAromaticRings: 0

Sugarmoiety
SD05854

N=C(O)CC1C(O)OC(CO)C(O)C1O