Glycoside
GD090647
Name:
NoneFormula:
C14H16O4N7BrSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4n[nH]cc4Br)ncnc32)[C@H](O)[C@@H]1OAglycone:
Brc1c[nH]nc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.23 | Num_heavy_atoms: | 26 |
| TPSA: | 154.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD39446
Formula: C9H7N7Br
Smiles:
Brc1c[nH]nc1CNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.11 | Num_heavy_atoms: | 17 |
| TPSA: | 92.95 | NumAromaticRings: | 2 |
