Glycoside
...
GD011511

Name:
None

Formula:
C23H22O11

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(C)=O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: -0.07 Num_rotatable_bonds: 4
MolWt: 474.42 Num_heavy_atoms: 34
TPSA: 180.05 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00700
Formula: C15H10O5

Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.07
AlogP: 1.89 Num_rotatable_bonds: 0
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 94.83 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O