Glycoside
GD095206
Name:
NoneFormula:
C21H28O9N2SSmiles:
O=C(C(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(CCc1ccccc1)S3(=O)=O)O2)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
O=S1(=O)C2CC3CNCC2(CN1CCc1ccccc1)O3Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.53 | Num_heavy_atoms: | 33 |
| TPSA: | 164.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD40643
Formula: C15H20O3N2S
Smiles:
O=S1(=O)C2CC3CNCC2(CN1CCc1ccccc1)O3| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.4 | Num_heavy_atoms: | 21 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
