Glycoside
GD072646
Name:
NoneFormula:
C16H20O7N2SSmiles:
O=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=C1CC2NCCC2N1c1ccsc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.41 | Num_heavy_atoms: | 26 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD33846
Formula: C10H12ON2S
Smiles:
O=C1CC2NCCC2N1c1ccsc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.29 | Num_heavy_atoms: | 14 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
