Glycoside
GD144585
Name:
methyl 2-ethyl-2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C13H24O9Smiles:
CCC(O)(C(=O)OC)C(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC(O)(C(=O)OC)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.33 | Num_heavy_atoms: | 22 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51417
Formula: C7H14O4
Smiles:
CCC(O)(C(=O)OC)C(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
