Glycoside
...
GD037047

Name:
None

Formula:
C30H30O12

Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](O)[C@H](Oc3c(O)cc(O)cc3C=Cc3ccc(O)cc3)O[C@H](CO)[C@H]2O)ccc1O

Aglycone:
COc1cc(C=CC(=O)O)ccc1O.Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.23
AlogP: 2.13 Num_rotatable_bonds: 9
MolWt: 582.56 Num_heavy_atoms: 42
TPSA: 195.6 NumAromaticRings: 3

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD03488
Formula: C14H12O4

Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 244.25 Num_heavy_atoms: 18
TPSA: 80.92 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O