Glycoside
GD137154
Name:
25-O-Acetyl-3-O-�_-D-Glucopyranosyl-23_24-Dihydrocucurbitacin_FFormula:
C38H60O13Smiles:
CC(=O)OC(C)(C)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(=O)OC(C)(C)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: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46054
Formula: C32H50O8
Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.74 | Num_heavy_atoms: | 40 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
