Glycoside
GD118137
Name:
EntangosinFormula:
C29H42O11Smiles:
C=C1C2CCC3(C)C(C4(O)C(OC)OC(OC)C4O)OC(=O)CC13OC1CC(=O)C(C)(C)C(CC(=O)OC)C12CAglycone:
C=C1C2CCC3(C)COC(=O)CC13OC1CC(=O)C(C)(C)C(CC(=O)OC)C12CSugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 147.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD47205
Formula: C23H32O6
Smiles:
C=C1C2CCC3(C)COC(=O)CC13OC1CC(=O)C(C)(C)C(CC(=O)OC)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
