Glycoside
GD133860
Name:
6-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C31H36O16Smiles:
OCC1OC(Oc2cc3c(cc2C2OCC4C(c5ccc6c(c5)OCO6)OCC24)OCO3)C(OC2OCC(O)(CO)C2O)C(O)C1OAglycone:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 213.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD14203
Formula: C20H18O7
Smiles:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
