Glycoside
GD119312
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{3-hydroxy-4-[3-(hydroxymethyl)-7-(3-hydroxyprop-1-en-1-yl)-2,3-dihydro-1,4-benzodioxin-2-yl]phenoxy}oxane-3,4,5-triolFormula:
C29H36O15Smiles:
OCC=Cc1ccc2c(c1)OC(c1ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc1O)C(CO)O2Aglycone:
OCC=Cc1ccc2c(c1)OC(c1ccc(O)cc1O)C(CO)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD47777
Formula: C18H18O6
Smiles:
OCC=Cc1ccc2c(c1)OC(c1ccc(O)cc1O)C(CO)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
