Glycoside
...
GD115503

Name:
Centapicrin

Formula:
C25H28O12

Smiles:
C=CC1C(OC2OC(CO)C(O)C(OC(C)=O)C2OC(=O)c2cccc(O)c2)OC=C2C(=O)OCCC21

Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.O=C(O)c1cccc(O)c1

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.48
AlogP: 0.55 Num_rotatable_bonds: 7
MolWt: 520.49 Num_heavy_atoms: 37
TPSA: 167.28 NumAromaticRings: 1

Unique Aglycone
AD06795
Formula: C10H12O4

Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.58 Num_rotatable_bonds: 1
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 0
AD18980
Formula: C7H6O3

Smiles:
O=C(O)c1cccc(O)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00752

CC(=O)OC1C(O)C(O)OC(CO)C1O