Glycoside
GD140285
Name:
Catechin 3-O-RutinosideFormula:
C27H34O15Smiles:
CC1OC(OCC2OC(OC3Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 248.45 | 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 |
