Glycoside
GD141493
Name:
2-[(7-hydroxy-3,7-dimethyloct-2-en-1-yl)oxy]-6-({[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C23H42O9Smiles:
CC(=CCOC1OC(COC2OC(CO)C(C)C2C)C(O)C(O)C1O)CCCC(C)(C)OAglycone:
CC(=CCO)CCCC(C)(C)O.COC1OC(CO)C(C)C1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 462.58 | Num_heavy_atoms: | 32 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD48207
Formula: C10H20O2
Smiles:
CC(=CCO)CCCC(C)(C)O| 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 |
AD56994
Formula: C8H16O3
Smiles:
COC1OC(CO)C(C)C1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
