Glycoside
GD017351
Name:
NoneFormula:
C22H19O3N4BrSmiles:
O[C@@H]1[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(Br)cc4)ncnc32)OC[C@H]1OAglycone:
Brc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.32 | Num_heavy_atoms: | 30 |
| TPSA: | 92.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD12389
Formula: C18H12N4Br
Smiles:
Brc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.23 | Num_heavy_atoms: | 23 |
| TPSA: | 51.91 | NumAromaticRings: | 3 |
