Glycoside
GD114991
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C31H40O15Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(COC6OCC(O)(CO)C6O)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OAglycone:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 215.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD02760
Formula: C20H22O6
Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
