Glycoside
GD054008
Name:
NoneFormula:
C14H16O6N2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc2cccnc2s1Aglycone:
NC(=O)c1cc2cccnc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD27526
Formula: C8H6ON2S
Smiles:
NC(=O)c1cc2cccnc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.22 | Num_heavy_atoms: | 12 |
| TPSA: | 55.98 | NumAromaticRings: | 2 |
