Glycoside
...
GD034653

Name:
None

Formula:
C32H32O13

Smiles:
COc1cc2c(O[C@@H]3OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3

Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 0 FractionCSP3: 0.41
AlogP: 3.81 Num_rotatable_bonds: 8
MolWt: 624.6 Num_heavy_atoms: 45
TPSA: 143.51 NumAromaticRings: 3

Unique Aglycone
AD22003
Formula: C21H18O6

Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.24
AlogP: 3.99 Num_rotatable_bonds: 3
MolWt: 366.37 Num_heavy_atoms: 27
TPSA: 66.38 NumAromaticRings: 3

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O