Glycoside
GD004854
Name:
NoneFormula:
C29H26O4N6Cl2Smiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5c(Cl)cccc5Cl)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1cccc(Cl)c1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 569.45 | Num_heavy_atoms: | 39 |
| TPSA: | 130.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD04187
Formula: C24H17N6Cl2
Smiles:
Clc1cccc(Cl)c1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.33 | Num_heavy_atoms: | 30 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
