Glycoside
...
GD099710

Name:
None

Formula:
C23H22O11

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2cc3occ(-c4ccc(O)cc4)c(O)c-3c(=O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
COC(C)=O.O=c1cc(O)cc2occ(-c3ccc(O)cc3)c(O)c1-2

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.3
AlogP: 0.57 Num_rotatable_bonds: 5
MolWt: 474.42 Num_heavy_atoms: 34
TPSA: 176.12 NumAromaticRings: 1

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
AD42308
Formula: C15H10O5

Smiles:
O=c1cc(O)cc2occ(-c3ccc(O)cc3)c(O)c1-2
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.53 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 1

Sugarmoiety
SD00017

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