Glycoside
...
GD008704

Name:
Pedaliin-6''-Acetate

Formula:
C24H24O13

Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(C)=O.COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.33
AlogP: 0.33 Num_rotatable_bonds: 6
MolWt: 520.44 Num_heavy_atoms: 37
TPSA: 205.58 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06918
Formula: C16H12O7

Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.06
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 316.27 Num_heavy_atoms: 23
TPSA: 120.36 NumAromaticRings: 3

Sugarmoiety
SD00017

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