Glycoside
GD133808
Name:
Trigoneoside XiiaFormula:
C45H74O18Smiles:
CC(CCC1(O)OC2CC3C4CCC5=CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 903.07 | Num_heavy_atoms: | 63 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49490
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
