Glycoside
GD139819
Name:
3-methyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)bicyclo[2.2.1]heptan-2-oneFormula:
C15H24O7Smiles:
CC1C(=O)C2(COC3OC(CO)C(O)C(O)C3O)CCC1C2Aglycone:
CC1C(=O)C2(CO)CCC1C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.35 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56388
Formula: C9H14O2
Smiles:
CC1C(=O)C2(CO)CCC1C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
