Glycoside
GD094564
Name:
NoneFormula:
C19H22O9N4SSmiles:
COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COC(=O)C=Cc1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.47 | Num_heavy_atoms: | 33 |
| TPSA: | 203.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD40527
Formula: C14H13O5N4S
Smiles:
COC(=O)C=Cc1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.35 | Num_heavy_atoms: | 24 |
| TPSA: | 142.02 | NumAromaticRings: | 1 |
