Glycoside
GD139710
Name:
Ardisimamilloside BFormula:
C53H84O22Smiles:
CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C=O)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(C=O)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: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 1073.23 | Num_heavy_atoms: | 75 |
| TPSA: | 339.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD04538
Formula: C30H46O4
Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
