Glycoside
GD031790
Name:
(6R)-9,10-Dihydroxy-4,7-Megastigmadien-3-One-9-O-Beta-D-GlucopyranosideFormula:
C19H30O8Smiles:
CC1=CC(=O)CC(C)(C)[C@H]1C=C[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC(=O)CC(C)(C)C1C=CC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD20457
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(O)CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
