Glycoside
GD151352
Name:
{3,4,5-trihydroxy-6-[(5-hydroxyheptan-2-yl)oxy]oxan-2-yl}methyl 2-ethyl-2,3-dihydroxybutanoateFormula:
C19H36O10Smiles:
CCC(O)CCC(C)OC1OC(COC(=O)C(O)(CC)C(C)O)C(O)C(O)C1OAglycone:
CCC(O)(C(=O)OC)C(C)O.CCC(O)CCC(C)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 424.49 | Num_heavy_atoms: | 29 |
| TPSA: | 166.14 | 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 |
AD60370
Formula: C7H16O2
Smiles:
CCC(O)CCC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 132.2 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
