Glycoside
GD129103
Name:
Kaempferol 7,4'-Dimethyl Ether 3-NeohesperidosideFormula:
C29H34O15Smiles:
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD47485
Formula: C17H14O6
Smiles:
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
