Glycoside
...
GD019165

Name:
4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-P-Coumaroyl)Glucoside

Formula:
C30H28O12

Smiles:
O=C(C=Cc1ccc(O)cc1)O[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.2
AlogP: 1.85 Num_rotatable_bonds: 9
MolWt: 580.54 Num_heavy_atoms: 42
TPSA: 203.44 NumAromaticRings: 3

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD13415
Formula: C15H12O5

Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 2.41 Num_rotatable_bonds: 3
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD00003

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