Glycoside
...
GD085972

Name:
Cimicifugic Acid K

Formula:
C20H18O9

Smiles:
O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O

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

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 5 FractionCSP3: 0.15
AlogP: 1.17 Num_rotatable_bonds: 8
MolWt: 402.36 Num_heavy_atoms: 29
TPSA: 161.59 NumAromaticRings: 2

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
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

Sugarmoiety
SD00775

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