Glycoside
GD130254
Name:
Synallactoside B2Formula:
C60H94O26Smiles:
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(OC7OCC(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CCC13)OC(C)=OAglycone:
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=OSugarmoiety:
COC1C(O)COC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 17 |
| MolWt: | 1231.39 | Num_heavy_atoms: | 86 |
| TPSA: | 376.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD04151
Formula: C32H48O5
Smiles:
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
Sugarmoiety
SD07204
COC1C(O)COC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O