Glycoside
GD084827
Name:
NoneFormula:
C18H19O5N6ClSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCOc4ccc(Cl)cn4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Clc1ccc(OCCNc2ncnc3c2N=C[N]3)nc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.83 | Num_heavy_atoms: | 29 |
| TPSA: | 147.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD37947
Formula: C13H10ON6Cl
Smiles:
Clc1ccc(OCCNc2ncnc3c2N=C[N]3)nc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.71 | Num_heavy_atoms: | 20 |
| TPSA: | 86.39 | NumAromaticRings: | 2 |
