Glycoside
GD023645
Name:
NoneFormula:
C23H31O4N6FSmiles:
CC(C)N(CCCO)C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCO.Fc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OOOC1O.OCCOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 474.54 | Num_heavy_atoms: | 34 |
| TPSA: | 128.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD02697
Formula: C12H9N5F
Smiles:
Fc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.24 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD15882
Formula: C7H17ON
Smiles:
CC(C)N(C)CCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 131.22 | Num_heavy_atoms: | 9 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
