Glycoside
GD022396
Name:
Cucurbitacin J 2-O-Beta-D-GlucopyranosideFormula:
C36H54O13Smiles:
CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@H](O)[C@H]([C@@](C)(O)C(=O)C[C@H](O)C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.82 | Num_heavy_atoms: | 49 |
| TPSA: | 231.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD15186
Formula: C30H44O8
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 152.36 | NumAromaticRings: | 0 |
