Glycoside
GD141949
Name:
Amritoside BFormula:
C27H40O14Smiles:
COC(=O)C1(O)CCCC2C(C)(CC(O)c3ccoc3)C(O)(C(=O)O)CC(OC3OC(CO)C(O)C(O)C3O)C21CAglycone:
COC(=O)C1(O)CCCC2C(C)(CC(O)c3ccoc3)C(O)(C(=O)O)CC(O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 588.6 | Num_heavy_atoms: | 41 |
| TPSA: | 236.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD57146
Formula: C21H30O9
Smiles:
COC(=O)C1(O)CCCC2C(C)(CC(O)c3ccoc3)C(O)(C(=O)O)CC(O)C21C| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 157.66 | NumAromaticRings: | 1 |
