Glycoside
GD074296
Name:
NoneFormula:
C16H22O7N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CCO[C@H]2CN(c3ccsc3)C[C@@H]21Aglycone:
O=CN1CCOC2CN(c3ccsc3)CC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.43 | Num_heavy_atoms: | 26 |
| TPSA: | 122.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD34343
Formula: C11H14O2N2S
Smiles:
O=CN1CCOC2CN(c3ccsc3)CC21| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.31 | Num_heavy_atoms: | 16 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
