Glycoside
GD100409
Name:
NoneFormula:
C22H28O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1c[nH+]ccc1N1CCCC1Aglycone:
O=C(Nc1ccc(S)cc1)c1c[nH+]ccc1N1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.55 | Num_heavy_atoms: | 32 |
| TPSA: | 136.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD42433
Formula: C16H18ON3S
Smiles:
O=C(Nc1ccc(S)cc1)c1c[nH+]ccc1N1CCCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.41 | Num_heavy_atoms: | 21 |
| TPSA: | 46.48 | NumAromaticRings: | 2 |
