Glycoside
GD136561
Name:
Kaempferol 3-(2''-Hydroxypropionylglucoside)-4'-GlucosideFormula:
C30H34O18Smiles:
CC(O)C(=O)OC1C(Oc2c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1OAglycone:
CC(O)C(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.47 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 682.58 | Num_heavy_atoms: | 48 |
| TPSA: | 295.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
