Glycoside
GD080893
Name:
NoneFormula:
C16H23O8N3SSmiles:
O=C(c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1)N1CCS(=O)(=O)CC1Aglycone:
Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.44 | Num_heavy_atoms: | 28 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD36523
Formula: C10H13O3N3S
Smiles:
Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.3 | Num_heavy_atoms: | 17 |
| TPSA: | 93.36 | NumAromaticRings: | 1 |
