Glycoside
GD147639
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triolFormula:
C33H44O17Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(COC6OCC(O)(CO)C6O)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 712.7 | Num_heavy_atoms: | 50 |
| TPSA: | 233.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
