Glycoside
GD133621
Name:
2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3a,6a-dimethyl-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H50O18Smiles:
COc1cc(C2OCC3(C)C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23C)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.78 | Num_heavy_atoms: | 54 |
| TPSA: | 254.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD11305
Formula: C24H30O8
Smiles:
COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
