Glycoside
GD001102
Name:
Diaspanoside AFormula:
C21H28O9Smiles:
C=C1C(=O)O[C@@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]12Aglycone:
C=C1C(=O)OC2C1CC(O)C(=C)C1CC(O)C(=C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01147
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C1CC(O)C(=C)C1CC(O)C(=C)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
