Glycoside
GD106686
Name:
NoneFormula:
C18H20O6N7BrSmiles:
COc1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1BrAglycone:
COc1ccc(C=NNC2=Nc3c(nc(N)[nH]c3=O)[N]2)cc1BrSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.31 | Num_heavy_atoms: | 32 |
| TPSA: | 193.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD44202
Formula: C13H11O2N7Br
Smiles:
COc1ccc(C=NNC2=Nc3c(nc(N)[nH]c3=O)[N]2)cc1Br| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.18 | Num_heavy_atoms: | 23 |
| TPSA: | 131.85 | NumAromaticRings: | 2 |
