Glycoside
GD129181
Name:
Onitioside AFormula:
C21H30O9Smiles:
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(COC1OC(CO)C(O)C(O)C1O)C2Aglycone:
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD52329
Formula: C15H20O4
Smiles:
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(CO)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
