Glycoside
GD030108
Name:
NoneFormula:
C26H40O9Smiles:
C=C1[C@@H]2CC[C@@H]3C(C)=C[C@@]2(C[C@H](O)[C@]2(O)[C@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2(C)C)[C@H]3OAglycone:
C=C1C2CCC3C(C)=CC2(CC(O)C2(O)C1CC(O)C2(C)C)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD19504
Formula: C20H30O4
Smiles:
C=C1C2CCC3C(C)=CC2(CC(O)C2(O)C1CC(O)C2(C)C)C3O| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
