Glycoside
GD024694
Name:
FOMITOSIDE HFormula:
C42H66O11Smiles:
COC(=O)CC(C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3Aglycone:
COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)O)C1(C)CC3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 746.98 | Num_heavy_atoms: | 53 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD16457
Formula: C37H58O7
Smiles:
COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)O)C1(C)CC3| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.86 | Num_heavy_atoms: | 44 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
