Glycoside
GD026530
Name:
4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-P-Coumaroyl)GlucosideFormula:
C30H28O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther 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
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | 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 |
