Glycoside
GD135319
Name:
3-O-�_-D-Glucopyranosyl-23_24-Dihydrocucurbitacin_FFormula:
C36H58O12Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.85 | Num_heavy_atoms: | 48 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54719
Formula: C30H48O7
Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
