Glycoside
GD118821
Name:
2-{[2,3-dihydroxy-1,4-bis(hydroxymethyl)cyclopentyl]peroxy}-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]methoxy}oxane-3,4,5-triolFormula:
C31H54O26Smiles:
OCC1CC(CO)(OOC2OC(OCC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OAglycone:
OCC1CC(CO)(OO)C(O)C1OSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(COC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -11.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 842.75 | Num_heavy_atoms: | 57 |
| TPSA: | 426.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47542
Formula: C7H14O6
Smiles:
OCC1CC(CO)(OO)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.18 | Num_heavy_atoms: | 13 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
