Glycoside
GD095085
Name:
NoneFormula:
C21H26O8N3FSSmiles:
C[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCCN1S(=O)(=O)c1cccc2cncc(F)c12Aglycone:
CC1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.52 | Num_heavy_atoms: | 34 |
| TPSA: | 168.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD40610
Formula: C15H18O2N3FS
Smiles:
CC1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 323.39 | Num_heavy_atoms: | 22 |
| TPSA: | 62.3 | NumAromaticRings: | 2 |
