Glycoside
GD152000
Name:
Quercetagetin 7-Methyl Ether 3-NeohesperidosideFormula:
C28H32O17Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(=O)c2c(O)c1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD14717
Formula: C16H12O8
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
