Glycoside
GD127899
Name:
NoneFormula:
C53H84O23SSmiles:
C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(S(=O)(=O)O)C(O)C6OC6OC(C)C(OC7OCC(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2Aglycone:
C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(S(=O)(=O)O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 16 |
| MolWt: | 1121.3 | Num_heavy_atoms: | 77 |
| TPSA: | 345.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47268
Formula: C30H46O4
Smiles:
C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
