Glycoside
GD125243
Name:
methyl 4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoateFormula:
C13H24O8Smiles:
COC(=O)CCC(C)COC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CCC(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 308.33 | Num_heavy_atoms: | 21 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50649
Formula: C7H14O3
Smiles:
COC(=O)CCC(C)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
