Glycoside
GD115482
Name:
Asernestioside CFormula:
C49H80O19Smiles:
CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)OC7OC(CO)C(O)C(O)C7O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 973.16 | Num_heavy_atoms: | 68 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
