Glycoside
GD014606
Name:
4',5,7-Trihydroxy-3-Methoxyflavone-7-O-RutinosideFormula:
C28H32O15Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(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)cc(O)c2c1=OAglycone:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD10717
Formula: C16H12O6
Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
