Glycoside
GD147002
Name:
3-Acetyl-(-)-Epicatechin 7-O-(6-Isobutanoyloxyl)-Beta-GlucopyranosideFormula:
C27H32O13Smiles:
CC(=O)OC1Cc2c(O)cc(OC3OC(COC(=O)C(C)C)C(O)C(O)C3O)cc2OC1c1ccc(O)c(O)c1Aglycone:
CC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1.COC(=O)C(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
