Glycoside
GD116932
Name:
2-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxolan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C25H44O20Smiles:
OCC1CC(OC2C(O)C(CO)OC2(CO)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -9.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 664.61 | Num_heavy_atoms: | 45 |
| TPSA: | 338.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
