Glycoside
GD142329
Name:
Atractyloside AFormula:
C21H36O10Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)C2CC(=O)C(C)(O)C2C1Aglycone:
CC(C)(O)C1CCC(O)(CO)C2CC(=O)C(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.51 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48436
Formula: C15H26O5
Smiles:
CC(C)(O)C1CCC(O)(CO)C2CC(=O)C(C)(O)C2C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.37 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
