Glycoside
GD095386
Name:
NoneFormula:
C20H21O8N3SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1Aglycone:
NC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.47 | Num_heavy_atoms: | 32 |
| TPSA: | 171.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD40713
Formula: C14H11O3N3S
Smiles:
NC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 21 |
| TPSA: | 95.05 | NumAromaticRings: | 3 |
