Glycoside
GD091867
Name:
NoneFormula:
C19H21O7N3SSmiles:
O=S(=O)(c1ccccc1)n1ccc2cc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cnc21Aglycone:
Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.46 | Num_heavy_atoms: | 30 |
| TPSA: | 154.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD40064
Formula: C13H11O2N3S
Smiles:
Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.98 | NumAromaticRings: | 3 |
