Glycoside
GD116084
Name:
NoneFormula:
C59H94O23Smiles:
CCCCOC(C)(C)C=CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CC(OC(C)=O)C13Aglycone:
CCCCOC(C)(C)C=CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13Sugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 18 |
| MolWt: | 1171.38 | Num_heavy_atoms: | 82 |
| TPSA: | 326.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD46042
Formula: C36H56O6
Smiles:
CCCCOC(C)(C)C=CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.84 | Num_heavy_atoms: | 42 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
