Glycoside
GD140598
Name:
[3,4,5-trihydroxy-6-(2-hydroxybutoxy)oxan-2-yl]methyl 2-ethyl-2,3-dihydroxybutanoateFormula:
C16H30O10Smiles:
CCC(O)COC1OC(COC(=O)C(O)(CC)C(C)O)C(O)C(O)C1OAglycone:
CCC(O)(C(=O)OC)C(C)O.CCC(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 382.41 | Num_heavy_atoms: | 26 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45608
Formula: C4H10O2
Smiles:
CCC(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
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 |
