Glycoside

GD157922
Name:
2-{4-[4-(2H-1,3-benzodioxol-5-yl)-6-hydroxy-hexahydrofuro[3,4-c]furan-1-yl]phenoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C31H38O16Smiles:
OCC1OC(OCC2OC(Oc3ccc(C4OCC5C(c6ccc7c(c6)OCO7)OC(O)C45)cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OC(O)C23)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.61 |
AlogP: | -2.19 | Num_rotatable_bonds: | 8 |
MolWt: | 666.63 | Num_heavy_atoms: | 47 |
TPSA: | 235.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD62380
Formula: C19H18O6
Smiles:
Oc1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OC(O)C23)cc1HBA: | 6 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.37 |
AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
MolWt: | 342.35 | Num_heavy_atoms: | 25 |
TPSA: | 77.38 | NumAromaticRings: | 2 |