Glycoside
GD077295
Name:
4-hydroxy-3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohex-2-en-1-oneFormula:
C19H32O8Smiles:
CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD04879
Formula: C13H22O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
