Glycoside
GD034533
Name:
SPIONOSIDE BFormula:
C19H30O9Smiles:
C[C@H](C=C[C@]1(O)[C@]2(C)CO[C@@]1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C=CC1(O)C2(C)COC1(C)CC(=O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD21950
Formula: C13H20O4
Smiles:
CC(O)C=CC1(O)C2(C)COC1(C)CC(=O)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
