Glycoside
GD131677
Name:
Avenacoside BFormula:
C57H92O28Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)(COC7OC(CO)C(O)C(O)C7O)O6)C(C)C54)C3)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.96 |
| AlogP: | -5.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 1225.34 | Num_heavy_atoms: | 85 |
| TPSA: | 434.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD23635
Formula: C27H42O4
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
Sugarmoiety
SD07401
CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O