Glycoside
GD123182
Name:
Helianthoside AFormula:
C53H86O21Smiles:
CC1OC(OC2C(O)C(C)OC(OC3C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)C(O)CC56C)C4(C)C)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(COC4OCC(O)C(O)C4O)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 1059.25 | Num_heavy_atoms: | 74 |
| TPSA: | 333.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00309
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
