Glycoside
GD136835
Name:
3-Acetyl-(-)-Epicatechin 7-O-Beta-GlucopyranosideFormula:
C23H26O12Smiles:
CC(=O)OC1Cc2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC1c1ccc(O)c(O)c1Aglycone:
CC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45572
Formula: C17H16O7
Smiles:
CC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
