Glycoside
GD063939
Name:
NoneFormula:
C14H19O7N3SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CC(=O)N(c2nccs2)C1Aglycone:
NC(=O)C1CC(=O)N(c2nccs2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.39 | Num_heavy_atoms: | 25 |
| TPSA: | 152.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD30760
Formula: C8H9O2N3S
Smiles:
NC(=O)C1CC(=O)N(c2nccs2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.25 | Num_heavy_atoms: | 14 |
| TPSA: | 76.29 | NumAromaticRings: | 1 |
