Glycoside
GD157914
Name:
2-{4-[3a,6a-dihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O15Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)cc(OC)c1OAglycone:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 215.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD53471
Formula: C22H26O10
Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)cc(OC)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 136.3 | NumAromaticRings: | 2 |
