Glycoside
GD126896
Name:
2-{[2-hydroxy-2-(3-hydroxybut-1-en-1-yl)-1,3,3-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H34O8Smiles:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.47 | Num_heavy_atoms: | 27 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD51368
Formula: C13H24O3
Smiles:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.33 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
