Glycoside
GD019557
Name:
FOMITOSIDE FFormula:
C37H58O8Smiles:
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:
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: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD08350
Formula: C32H50O4
Smiles:
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)O)C1(C)CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 8.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.75 | Num_heavy_atoms: | 36 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
