Glycoside
GD148350
Name:
4-methoxy-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrolFormula:
C25H44O21Smiles:
COC1C(O)C(O)C(O)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C1OAglycone:
COC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -9.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.61 | Num_heavy_atoms: | 46 |
| TPSA: | 347.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03454
Formula: C7H14O6
Smiles:
COC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.18 | Num_heavy_atoms: | 13 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
