Glycoside
GD137382
Name:
bacoside aFormula:
C40H66O13Smiles:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(OC4C(CO)OC(OC5OCC(O)C(O)C5O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 754.96 | Num_heavy_atoms: | 53 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50019
Formula: C29H48O4
Smiles:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
