Glycoside
GD114826
Name:
Hebevinoside IvFormula:
C36H60O7Smiles:
COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 604.87 | Num_heavy_atoms: | 43 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45313
Formula: C31H52O3
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
