Glycoside
GD013564
Name:
KAEMPFEROL DIACYL RHAMNOSIDEFormula:
C39H34O14Smiles:
C[C@@H]1O[C@H](OC2=C(O)c3c(O)cc(O)cc3OC2c2ccc(O)cc2)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.OC1=C(O)C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.18 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 726.69 | Num_heavy_atoms: | 53 |
| TPSA: | 221.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD10098
Formula: C15H12O6
Smiles:
OC1=C(O)C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
