Glycoside
GD087892
Name:
NoneFormula:
C19H26O8N2SSmiles:
O=C(N[C@H]1CCO[C@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)C1)c1ccsc1Aglycone:
O=C(NC1CCOC2(CCNC2)C1)c1ccsc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38535
Formula: C13H18O2N2S
Smiles:
O=C(NC1CCOC2(CCNC2)C1)c1ccsc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.37 | Num_heavy_atoms: | 18 |
| TPSA: | 50.36 | NumAromaticRings: | 1 |
