Glycoside
GD115589
Name:
6-[(2,4-dimethylpentan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H24O7Smiles:
CC(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)CAglycone:
CC(C)C(O)C(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.33 | Num_heavy_atoms: | 20 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45753
Formula: C7H16O
Smiles:
CC(C)C(O)C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
