Glycoside
GD144899
Name:
3-(3-hydroxybutyl)-2,4,4-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-oneFormula:
C19H32O8Smiles:
CC1=C(CCC(C)O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1=OAglycone:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1=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
AD58192
Formula: C13H22O3
Smiles:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1=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 |
