Glycoside
GD121432
Name:
Kaempferide 5-Glucoside-7-GlucuronideFormula:
C28H30O17Smiles:
COc1ccc(-c2oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(CO)C(O)C(O)C4O)c3c(=O)c2O)cc1Aglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 275.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
