Glycoside
GD101235
Name:
NoneFormula:
C23H28O7N2SSmiles:
O=C(c1cccc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c1)N1CCOCC1Aglycone:
O=C(c1cccc(Nc2ccc(S)cc2)c1)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.55 | Num_heavy_atoms: | 33 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD42815
Formula: C17H18O2N2S
Smiles:
O=C(c1cccc(Nc2ccc(S)cc2)c1)N1CCOCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.41 | Num_heavy_atoms: | 22 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
