Glycoside
GD150839
Name:
NoneFormula:
C57H88O24Smiles:
C=C(C)C(CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CC(OC(C)=O)C13)OC(C)=OAglycone:
C=C(C)C(CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13)OC(C)=OSugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 1157.31 | Num_heavy_atoms: | 81 |
| TPSA: | 344.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD60212
Formula: C34H50O7
Smiles:
C=C(C)C(CCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13)OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
