Glycoside
...
GD024645

Name:
CIMICIFUGIC ACID C

Formula:
C20H18O10

Smiles:
O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O

Aglycone:
Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)cc1

Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 6 FractionCSP3: 0.15
AlogP: 0.87 Num_rotatable_bonds: 8
MolWt: 418.35 Num_heavy_atoms: 30
TPSA: 181.82 NumAromaticRings: 2

Unique Aglycone
AD03800
Formula: C9H8O2

Smiles:
O=CC=Cc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD06437
Formula: C7H8O2

Smiles:
Cc1ccc(O)c(O)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.41 Num_rotatable_bonds: 0
MolWt: 124.14 Num_heavy_atoms: 9
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00775

O=C(O)C(OO)C(O)(O)C(=O)O