Glycoside
...
GD113192

Name:
None

Formula:
C31H21O9Cl3

Smiles:
CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1

Aglycone:
COC(=O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 0 FractionCSP3: 0.21
AlogP: 5.54 Num_rotatable_bonds: 8
MolWt: 607.83 Num_heavy_atoms: 40
TPSA: 114.43 NumAromaticRings: 3

Unique Aglycone
AD02410
Formula: C8H5O2Cl

Smiles:
O=C(O)c1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 2.04 Num_rotatable_bonds: 1
MolWt: 156.57 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD14758
Formula: C9H7O2Cl

Smiles:
COC(=O)c1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.13 Num_rotatable_bonds: 1
MolWt: 170.59 Num_heavy_atoms: 11
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00535

CC(=O)OC1OC(O)C(O)C1O