Glycoside
GD032501
Name:
NoneFormula:
C22H25O4N8ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(NCCc4cnc[nH]4)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(NCCc3cnc[nH]3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.4 | Num_heavy_atoms: | 35 |
| TPSA: | 166.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD20842
Formula: C17H16N8I
Smiles:
Ic1cccc(CNc2nc(NCCc3cnc[nH]3)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.28 | Num_heavy_atoms: | 26 |
| TPSA: | 104.98 | NumAromaticRings: | 3 |
