Glycoside
GD002206
Name:
NoneFormula:
C19H21O4N6BrSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.32 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD02134
Formula: C12H9N5Br
Smiles:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.14 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
