Glycoside
GD138039
Name:
Kaempferol 7,4'-Dimethyl Ether 3-(6''-(E)-P-Coumarylglucoside)Formula:
C32H30O13Smiles:
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.58 | Num_heavy_atoms: | 45 |
| TPSA: | 194.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
