Glycoside
GD006302
Name:
NoneFormula:
C20H20O4N5ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCc5cc(Cl)ccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.85 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD05230
Formula: C15H11N5Cl
Smiles:
Clc1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.73 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
