Glycoside
...
GD030860

Name:
4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-P-Coumaroyl-6''-O-Acetyl)Glucoside

Formula:
C32H30O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.22
AlogP: 2.42 Num_rotatable_bonds: 10
MolWt: 622.58 Num_heavy_atoms: 45
TPSA: 209.51 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
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
SD00017

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