Glycoside
GD102198
Name:
NoneFormula:
C15H18O6N2F3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Br)cnc2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc(Br)cnc1C(F)(F)FSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.22 | Num_heavy_atoms: | 27 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD43250
Formula: C9H8O2N2F3Br
Smiles:
O=C(NCCO)c1cc(Br)cnc1C(F)(F)F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.07 | Num_heavy_atoms: | 17 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
