Glycoside
GD095373
Name:
NoneFormula:
C19H28O9N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cccc(S(=O)(=O)N2CCOCC2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.51 | Num_heavy_atoms: | 31 |
| TPSA: | 154.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD40705
Formula: C13H18O5N2S
Smiles:
O=C(NCCO)c1cccc(S(=O)(=O)N2CCOCC2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.36 | Num_heavy_atoms: | 21 |
| TPSA: | 95.94 | NumAromaticRings: | 1 |
