Glycoside
GD016326
Name:
5-Hydroxy-6-Methoxy-2-Methylchromone-7-O-RutinosideFormula:
C23H30O14Smiles:
COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(C)cc(=O)c2c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.48 | Num_heavy_atoms: | 37 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD11773
Formula: C11H10O5
Smiles:
COc1c(O)cc2oc(C)cc(=O)c2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.2 | Num_heavy_atoms: | 16 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
