Glycoside
GD006923
Name:
Cucurbitacin I 2-O-Beta-D-GlucopyranosideFormula:
C36H52O12Smiles:
CC(C)(O)C=CC(=O)[C@@](C)(O)C1[C@H](O)C[C@]2(C)C3CC=C4C(C=C(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(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: | 7 | FractionCSP3: | 0.75 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.8 | Num_heavy_atoms: | 48 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD05678
Formula: C30H42O7
Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
