Glycoside
GD100957
Name:
NoneFormula:
C16H18O6N4FBrSmiles:
COc1c(Br)cc(F)cc1Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1c(Br)cc(F)cc1NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.24 | Num_heavy_atoms: | 28 |
| TPSA: | 152.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD42670
Formula: C11H9O2N4FBr
Smiles:
COc1c(Br)cc(F)cc1NC1=C(C(N)=O)N=C[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.12 | Num_heavy_atoms: | 19 |
| TPSA: | 90.81 | NumAromaticRings: | 1 |
