Glycoside
GD151543
Name:
Catechin 3',4'-Di-O-Beta-D-GlucopyranosideFormula:
C27H34O16Smiles:
OCC1OC(Oc2ccc(C3Oc4cc(O)cc(O)c4CC3O)cc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 268.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
