Glycoside
GD115284
Name:
3-Acetyl-(-)-Epicatechin 7-O-[6-(2-Methyl-Butanoyloxyl)]-Beta-Glucopyrano+Formula:
C28H34O13Smiles:
CCC(C)C(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(OC(C)=O)C3)C(O)C(O)C1OAglycone:
CC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1.CCC(C)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| 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 |
