Glycoside
GD018195
Name:
NoneFormula:
C22H27O4N6ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(NC4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(NC3CCCC3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.4 | Num_heavy_atoms: | 33 |
| TPSA: | 137.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD12881
Formula: C17H18N6I
Smiles:
Ic1cccc(CNc2nc(NC3CCCC3)nc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.28 | Num_heavy_atoms: | 24 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
