Glycoside
GD131189
Name:
NoneFormula:
C34H56O14N2S2Smiles:
CC(O)=NC1C(OC2C=C3CC(OS(=O)(=O)O)CCC3(C)C3CCC4(C)C(C(C)CCC(O)=NCCS(=O)(=O)O)CCC4C23)OC(CO)C(O)C1OAglycone:
CC(CCC(O)=NCCS(=O)(=O)O)C1CCC2C3C(O)C=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 780.96 | Num_heavy_atoms: | 52 |
| TPSA: | 262.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53158
Formula: C26H43O9NS2
Smiles:
CC(CCC(O)=NCCS(=O)(=O)O)C1CCC2C3C(O)C=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.76 | Num_heavy_atoms: | 38 |
| TPSA: | 170.79 | NumAromaticRings: | 0 |
