Glycoside
GD002038
Name:
NoneFormula:
C20H20O4N5BrSmiles:
Cc1ccc(OC[C@@H]2O[C@H](n3c(Br)c(C#N)c4c(N)ncnc43)[C@@](C)(O)[C@H]2O)cc1Aglycone:
COc1ccc(C)cc1.N#CC1=C(Br)[N]c2ncnc(N)c21Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.32 | Num_heavy_atoms: | 30 |
| TPSA: | 139.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD01982
Formula: C7H3N5Br
Smiles:
N#CC1=C(Br)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.04 | Num_heavy_atoms: | 13 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
