Glycoside
GD091326
Name:
NoneFormula:
C20H22O4N7ClSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCN(c5ncccc5Cl)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Clc1cccnc1N1CCN(c2ncnc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.88 | Num_heavy_atoms: | 31 |
| TPSA: | 132.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD39841
Formula: C15H13N7Cl
Smiles:
Clc1cccnc1N1CCN(c2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.76 | Num_heavy_atoms: | 22 |
| TPSA: | 71.61 | NumAromaticRings: | 2 |
