Glycoside
GD150095
Name:
methyl 2-(4-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)acetateFormula:
C15H24O9Smiles:
COC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)CCC(=O)CC1Aglycone:
COC(=O)CC1(O)CCC(=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.35 | Num_heavy_atoms: | 24 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD21006
Formula: C9H14O4
Smiles:
COC(=O)CC1(O)CCC(=O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
