Glycoside
...
GD031092

Name:
None

Formula:
C25H28O12

Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](COC(=O)C=Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O

Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O.COC(=O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.4
AlogP: 0.29 Num_rotatable_bonds: 10
MolWt: 520.49 Num_heavy_atoms: 37
TPSA: 189.28 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
AD20061
Formula: C10H12O6

Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.4
AlogP: 0.2 Num_rotatable_bonds: 4
MolWt: 228.2 Num_heavy_atoms: 16
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00017

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