Glycoside
GD153859
Name:
2-{[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}-3,4-dihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H46O21Smiles:
OCC1OC(OCC2OC(Oc3cc4c(cc3C3OCC5C(c6ccc7c(c6)OCO7)OCC35)OCO4)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -3.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 826.75 | Num_heavy_atoms: | 58 |
| TPSA: | 292.83 | 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 |
