Glycoside
...
GD118035

Name:
N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-({4-[(4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

Formula:
C40H68O31N2

Smiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 5
HBD: 20 FractionCSP3: 0.93
AlogP: -12.29 Num_rotatable_bonds: 23
MolWt: 1072.97 Num_heavy_atoms: 73
TPSA: 538.69 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD05172

CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1O