Glycoside
GD157269
Name:
1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetateFormula:
C29H36O13Smiles:
COc1ccc(C2OCC3(OC(C)=O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OCAglycone:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23OC(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.59 | Num_heavy_atoms: | 42 |
| TPSA: | 171.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD62191
Formula: C23H26O8
Smiles:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23OC(C)=O)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.45 | Num_heavy_atoms: | 31 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
