Glycoside
GD001118
Name:
6'-Coumaroyl-1'-O-[2-(3,4-Dihydroxyphenyl)Ethyl]-Beta-D-GlucopyranosideFormula:
C23H26O10Smiles:
O=C(C=Cc1ccc(O)cc1)OC[C@@H]1O[C@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
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 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
