Glycoside
GD025058
Name:
NoneFormula:
C28H27O4N6ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 535.0 | Num_heavy_atoms: | 38 |
| TPSA: | 130.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD01082
Formula: C23H18N6Cl
Smiles:
Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.88 | Num_heavy_atoms: | 29 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
