Glycoside
GD138580
Name:
5-{[3,6-bis(2H-1,3-benzodioxol-5-yl)-3a-hydroxy-hexahydrofuro[3,4-c]furan-1-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C26H28O13Smiles:
OCC1OC(O)C(O)C(O)C1OC1OC(c2ccc3c(c2)OCO3)C2(O)COC(c3ccc4c(c3)OCO4)C12Aglycone:
OC1OC(c2ccc3c(c2)OCO3)C2(O)COC(c3ccc4c(c3)OCO4)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD55923
Formula: C20H18O8
Smiles:
OC1OC(c2ccc3c(c2)OCO3)C2(O)COC(c3ccc4c(c3)OCO4)C12| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
