Glycoside
...
GD016390

Name:
LAPATHOSIDE D

Formula:
C30H34O15

Smiles:
O=C(C=Cc1ccc(O)cc1)OC[C@@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.4
AlogP: -1.46 Num_rotatable_bonds: 11
MolWt: 634.59 Num_heavy_atoms: 45
TPSA: 242.13 NumAromaticRings: 2

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD01087

OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1O