Glycoside
GD002459
Name:
NoneFormula:
C29H25O4N8ISmiles:
OC[C@@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5nccc6ccccc56)cn4)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(-n3cc(-c4nccc5ccccc45)cn3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.48 | Num_heavy_atoms: | 42 |
| TPSA: | 156.26 | NumAromaticRings: | 6 |
Unique Aglycone
AD02347
Formula: C24H16N8I
Smiles:
Ic1cccc(CNc2nc(-n3cc(-c4nccc5ccccc45)cn3)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.04 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 543.35 | Num_heavy_atoms: | 33 |
| TPSA: | 94.98 | NumAromaticRings: | 5 |
