Glycoside
GD146737
Name:
3a-hydroxy-3',4'-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetrahydro-2H-spiro[furo[3,2-b]furan-3,2'-oxolane]-2,5'-dioneFormula:
C17H24O12Smiles:
CC1C(=O)OC2(C(=O)OC3C(OC4OC(CO)C(O)C(O)C4O)COC32O)C1CAglycone:
CC1C(=O)OC2(C(=O)OC3C(O)COC32O)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58816
Formula: C11H14O7
Smiles:
CC1C(=O)OC2(C(=O)OC3C(O)COC32O)C1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
