Glycoside
GD136063
Name:
2-{4-[4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C32H42O15Smiles:
COc1ccc(C2OCC3C(c4ccc(OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OCAglycone:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)ccc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.67 | Num_heavy_atoms: | 47 |
| TPSA: | 204.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD13141
Formula: C21H24O6
Smiles:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
