Glycoside
GD150775
Name:
2-[(7-hydroxy-3,7-dimethyloct-3-en-1-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C22H40O11Smiles:
CC(=CCCC(C)(C)O)CCOC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=CCCC(C)(C)O)CCOSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 480.55 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD60186
Formula: C10H20O2
Smiles:
CC(=CCCC(C)(C)O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
