Glycoside
GD149586
Name:
NoneFormula:
C16H22O9N2S2Smiles:
OCC1OC(SC(Cc2c[nH]c3ccccc23)=NOS(O)(O)O)C(O)C(O)C1OAglycone:
OS(O)(O)ON=C(S)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.49 | Num_heavy_atoms: | 29 |
| TPSA: | 188.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD59801
Formula: C10H12O4N2S2
Smiles:
OS(O)(O)ON=C(S)Cc1c[nH]c2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.1 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.35 | Num_heavy_atoms: | 18 |
| TPSA: | 98.07 | NumAromaticRings: | 2 |
