Glycoside
GD014358
Name:
NEOANDROGRAPHOLIDEFormula:
C26H40O8Smiles:
C=C1CC[C@H]2[C@](C)(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD02290
Formula: C20H30O3
Smiles:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
