Glycoside
GD058823
Name:
NoneFormula:
C15H22O5NSSmiles:
O=C[C@H]([NH2+][C@H]1CSc2ccccc2C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CSc2ccccc2C1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.41 | Num_heavy_atoms: | 22 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD29356
Formula: C9H12NS
Smiles:
[NH3+]C1CSc2ccccc2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.27 | Num_heavy_atoms: | 11 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
