Glycoside
GD028873
Name:
Epicatechin 5-O-Beta-D-Glucopyranoside-3-BenzoateFormula:
C28H28O12Smiles:
O=C(O[C@@H]1Cc2c(cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1c1ccc(O)c(O)c1)c1ccccc1Aglycone:
O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 195.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD18826
Formula: C22H18O7
Smiles:
O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 116.45 | NumAromaticRings: | 3 |
