Glycoside
GD116024
Name:
Tenacissoside MFormula:
C44H74O17Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 875.06 | Num_heavy_atoms: | 61 |
| TPSA: | 230.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46006
Formula: C23H38O7
Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
