Glycoside
GD000521
Name:
Cucurbitacin A 2-O-Beta-D-GlucopyranosideFormula:
C38H56O14Smiles:
CC(=O)OC(C)(C)C=CC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(CO)C(=O)C[C@]12CAglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 736.85 | Num_heavy_atoms: | 52 |
| TPSA: | 237.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00576
Formula: C32H46O9
Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.71 | Num_heavy_atoms: | 41 |
| TPSA: | 158.43 | NumAromaticRings: | 0 |
