Glycoside
GD020167
Name:
NoneFormula:
C16H17O6N5SSmiles:
Nc1ccn([C@@H]2O[C@H](CNC3=NS(=O)(=O)c4ccccc43)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC1=NS(=O)(=O)c2ccccc21.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 407.41 | Num_heavy_atoms: | 28 |
| TPSA: | 169.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD13631
Formula: C8H8O2N2S
Smiles:
CNC1=NS(=O)(=O)c2ccccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 196.23 | Num_heavy_atoms: | 13 |
| TPSA: | 58.53 | NumAromaticRings: | 1 |
