Glycoside
GD152260
Name:
NoneFormula:
C48H79O23NS2Smiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(CO)OC(OC4CC5C(=CCC6(C)C(C(C)C=CC(C)C(C)C(O)=NCCOS(=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)=NCCOS(=O)(=O)OSugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 1102.28 | Num_heavy_atoms: | 74 |
| TPSA: | 366.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD51357
Formula: C30H49O10NS2
Smiles:
CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCOS(=O)(=O)O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 647.85 | Num_heavy_atoms: | 43 |
| TPSA: | 180.02 | NumAromaticRings: | 0 |
