Glycoside
GD018615
Name:
2-Hydroxy-(22-27)-Hexanorcucurbita-1,5,16-Triene-3,11,20-Trione 2-O-Beta-D-GlucopyranosideFormula:
C30H40O9Smiles:
CC(=O)C1=CC[C@]2(C)[C@@H]3CC=C4[C@H](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(=O)C1=CCC2(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: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.64 | Num_heavy_atoms: | 39 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD13100
Formula: C24H30O4
Smiles:
CC(=O)C1=CCC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.5 | Num_heavy_atoms: | 28 |
| TPSA: | 71.44 | NumAromaticRings: | 0 |
