Glycoside
GD031105
Name:
NoneFormula:
C24H32O3N7ClSmiles:
CC(C)N(CCCN)C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCN.Clc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 490.01 | Num_heavy_atoms: | 34 |
| TPSA: | 134.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD02987
Formula: C13H9N5Cl
Smiles:
Clc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD20006
Formula: C7H18N2
Smiles:
CC(C)N(C)CCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
