Glycoside
GD130899
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3-ethyl-3,4-dihydroxy-4-methylpentyl)oxy]oxane-3,4,5-triolFormula:
C19H36O12Smiles:
CCC(O)(CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C(C)(C)OAglycone:
CCC(O)(CCO)C(C)(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 456.49 | Num_heavy_atoms: | 31 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD53046
Formula: C8H18O3
Smiles:
CCC(O)(CCO)C(C)(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.23 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
