Glycoside
GD002654
Name:
NoneFormula:
C17H19O7N2F3Smiles:
OC[C@@H]1O[C@H](Oc2n[nH]c(C(F)(F)F)c2Cc2ccccc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccccc1Cc1c(O)n[nH]c1C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.34 | Num_heavy_atoms: | 29 |
| TPSA: | 148.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD02505
Formula: C11H9O2N2F3
Smiles:
Oc1ccccc1Cc1c(O)n[nH]c1C(F)(F)F| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.2 | Num_heavy_atoms: | 18 |
| TPSA: | 69.14 | NumAromaticRings: | 2 |
