Glycoside
GD150919
Name:
novaeguinoside dFormula:
C48H79O22NS2Smiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(CO)OC(OC4CC5C(=CCC6(C)C(C(C)C=CC(C)C(C)C(O)=NCCS(=O)(=O)O)CCC56)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)OCC(O)C2O)C1OAglycone:
CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCS(=O)(=O)OSugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 1086.28 | Num_heavy_atoms: | 73 |
| TPSA: | 356.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD53696
Formula: C30H49O9NS2
Smiles:
CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCS(=O)(=O)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 631.85 | Num_heavy_atoms: | 42 |
| TPSA: | 170.79 | NumAromaticRings: | 0 |
