Glycoside
GD148805
Name:
Kaempferide 3-Rhamnoside-7-(6''-Succinylglucoside)Formula:
C32H36O18Smiles:
COc1ccc(-c2oc3cc(OC4OC(COC(=O)CCC(=O)O)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COC(=O)CCC(=O)O.COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 708.62 | Num_heavy_atoms: | 50 |
| TPSA: | 281.57 | 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 |
AD08961
Formula: C5H8O4
Smiles:
COC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
