Glycoside
GD115300
Name:
14-Acetoxy-22,23-Dihydro-15,23-DihydroxyirpexanFormula:
C38H68O11Smiles:
CC(=O)OC(CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(O)CCC=C(C)CCC=C(C)C)C(C)(O)CCC=C(C)CCCC(C)(C)OAglycone:
CC(=O)OC(CCC(O)C(C)(O)CCC=C(C)CCC=C(C)C)C(C)(O)CCC=C(C)CCCC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 22 |
| MolWt: | 700.95 | Num_heavy_atoms: | 49 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45585
Formula: C32H58O6
Smiles:
CC(=O)OC(CCC(O)C(C)(O)CCC=C(C)CCC=C(C)C)C(C)(O)CCC=C(C)CCCC(C)(C)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 19 |
| MolWt: | 538.81 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
