Glycoside
GD008437
Name:
NoneFormula:
C15H21O4N6BrSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCCC4)nc(Br)nc32)[C@H](O)[C@H]1OAglycone:
Brc1nc2c(c(NN3CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 429.28 | Num_heavy_atoms: | 26 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD06739
Formula: C10H12N6Br
Smiles:
Brc1nc2c(c(NN3CCCCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.15 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
