Glycoside
GD031229
Name:
NoneFormula:
C22H22O4N4SSmiles:
Nc1ccn([C@@H]2O[C@H](CNCc3cccc4c3sc3ccccc34)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1cccc2c1sc1ccccc12.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.51 | Num_heavy_atoms: | 31 |
| TPSA: | 122.63 | NumAromaticRings: | 4 |
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 |
AD00721
Formula: C14H13NS
Smiles:
CNCc1cccc2c1sc1ccccc12| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.33 | Num_heavy_atoms: | 16 |
| TPSA: | 12.03 | NumAromaticRings: | 3 |
