Glycoside
GD014384
Name:
NoneFormula:
C17H15O3N5ClBrSmiles:
O[C@@H]1[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)OC[C@H]1OAglycone:
Clc1nc2c(c(NCc3cccc(Br)c3)n1)N=C[N]2Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.69 | Num_heavy_atoms: | 26 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD04590
Formula: C13H8N5ClBr
Smiles:
Clc1nc2c(c(NCc3cccc(Br)c3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.59 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
