Glycoside
GD142443
Name:
2-{3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C37H52O19Smiles:
COc1cc(C2Oc3c(OC)cc(CCCOC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3C2COC2OCC(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 800.8 | Num_heavy_atoms: | 56 |
| TPSA: | 285.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD01856
Formula: C20H24O6
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
