Glycoside
GD095034
Name:
NoneFormula:
C19H25O9N3SSmiles:
O=C(C(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=S1(=O)C2CC3CNCC2(CN1Cc1ccncc1)O3Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.49 | Num_heavy_atoms: | 32 |
| TPSA: | 177.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD40597
Formula: C13H17O3N3S
Smiles:
O=S1(=O)C2CC3CNCC2(CN1Cc1ccncc1)O3| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.36 | Num_heavy_atoms: | 20 |
| TPSA: | 71.53 | NumAromaticRings: | 1 |
