Glycoside
GD014470
Name:
FOMITOSIDE EFormula:
C37H58O9Smiles:
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](CC=CC(C)(C)O)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3Aglycone:
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CC=CC(C)(C)O)C(=O)O)C1(C)CC3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD10632
Formula: C32H50O5
Smiles:
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CC=CC(C)(C)O)C(=O)O)C1(C)CC3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
