Glycoside
GD101905
Name:
NoneFormula:
C20H23O7N3S2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H]1CC(=O)N(c2nccs2)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CC(=O)N(c2nccs2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.55 | Num_heavy_atoms: | 32 |
| TPSA: | 152.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD43146
Formula: C14H13O2N3S2
Smiles:
O=C(Nc1ccc(S)cc1)C1CC(=O)N(c2nccs2)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.41 | Num_heavy_atoms: | 21 |
| TPSA: | 62.3 | NumAromaticRings: | 2 |
