Glycoside
GD036267
Name:
4-hydroxy-4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C19H30O9Smiles:
CC1=CC(=O)CC(C)(C)[C@@]1(O)C=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)C1(O)C=CC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD11479
Formula: C13H20O4
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(O)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
