Glycoside
GD106670
Name:
NoneFormula:
C20H21O10N5SSmiles:
CC(=O)O[C@@H]1CO[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 523.48 | Num_heavy_atoms: | 36 |
| TPSA: | 201.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD03476
Formula: C9H7O3N5S
Smiles:
NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.25 | Num_heavy_atoms: | 18 |
| TPSA: | 122.65 | NumAromaticRings: | 1 |
