Glycoside
GD032945
Name:
IDESOLIDINEFormula:
C23H30O10Smiles:
CC(=O)O[C@@H]1[C@H](O)[C@H](O[C@@H]2CCCC[C@H]2O)O[C@H](CO)[C@H]1OC(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1CCCCC1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
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 |
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
