Glycoside
...
GD007987

Name:
CIMICIFUGIC ACID I

Formula:
C22H22O12

Smiles:
COc1cc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc(OC)c1O

Aglycone:
COc1cc(C=CC=O)cc(OC)c1O.Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.23
AlogP: 0.89 Num_rotatable_bonds: 10
MolWt: 478.41 Num_heavy_atoms: 34
TPSA: 200.28 NumAromaticRings: 2

Unique Aglycone
AD06436
Formula: C11H12O4

Smiles:
COc1cc(C=CC=O)cc(OC)c1O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.62 Num_rotatable_bonds: 4
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 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