Glycoside
GD156795
Name:
Ardisimamilloside GFormula:
C53H86O22Smiles:
CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(CO)CC85)C(=O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(CO)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 1075.25 | Num_heavy_atoms: | 75 |
| TPSA: | 342.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD17775
Formula: C30H48O4
Smiles:
CC1(CO)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
