Glycoside
GD154314
Name:
2-(4-{[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-2-methoxyphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H40O17Smiles:
COc1cc(OC2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(OC2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 696.66 | Num_heavy_atoms: | 49 |
| TPSA: | 233.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD52371
Formula: C20H20O7
Smiles:
COc1cc(OC2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
