Glycoside
GD063223
Name:
NoneFormula:
C16H23O6N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)C[NH+](Cc1cccs1)C2Aglycone:
O=CN1CC2(C1)C[NH+](Cc1cccs1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.44 | Num_heavy_atoms: | 25 |
| TPSA: | 114.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD30474
Formula: C11H15ON2S
Smiles:
O=CN1CC2(C1)C[NH+](Cc1cccs1)C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 223.32 | Num_heavy_atoms: | 15 |
| TPSA: | 24.75 | NumAromaticRings: | 1 |
