Glycoside
GD023156
Name:
5-Hydroxy-2-Methylchromone-7-O-RutinosideFormula:
C22H28O14Smiles:
Cc1cc(=O)c2c(O)c(O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc2o1Aglycone:
Cc1cc(=O)c2c(O)c(O)c(O)cc2o1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.45 | Num_heavy_atoms: | 36 |
| TPSA: | 228.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD15606
Formula: C10H8O5
Smiles:
Cc1cc(=O)c2c(O)c(O)c(O)cc2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
