Glycoside
...
GD003346

Name:
None

Formula:
C25H28O12

Smiles:
C[C@@H]1OC(=O)CC2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](COC(=O)C=Cc4ccccc4)[C@H](O)[C@H](O)[C@H]3O)C21

Aglycone:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12.COC(=O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: -0.04 Num_rotatable_bonds: 7
MolWt: 520.49 Num_heavy_atoms: 37
TPSA: 178.28 NumAromaticRings: 1

Unique Aglycone
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1
AD03047
Formula: C10H12O6

Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.6
AlogP: -0.13 Num_rotatable_bonds: 1
MolWt: 228.2 Num_heavy_atoms: 16
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00017

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