Glycoside
GD016765
Name:
NoneFormula:
C25H23O4N8ISmiles:
OC[C@@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5ccccn5)cn4)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(-n3cc(-c4ccccn4)cn3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.42 | Num_heavy_atoms: | 38 |
| TPSA: | 156.26 | NumAromaticRings: | 5 |
Unique Aglycone
AD12031
Formula: C20H14N8I
Smiles:
Ic1cccc(CNc2nc(-n3cc(-c4ccccn4)cn3)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.29 | Num_heavy_atoms: | 29 |
| TPSA: | 94.98 | NumAromaticRings: | 4 |
