Glycoside
GD013772
Name:
NoneFormula:
C27H26O5N7ISmiles:
COc1ccc(-c2cnn(-c3nc(NCc4cccc(I)c4)c4ncn(C5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)c2)cc1Aglycone:
COc1ccc(-c2cnn(-c3nc4c(c(NCc5cccc(I)c5)n3)N=C[N]4)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 655.45 | Num_heavy_atoms: | 40 |
| TPSA: | 152.6 | NumAromaticRings: | 5 |
Unique Aglycone
AD10225
Formula: C22H17ON7I
Smiles:
COc1ccc(-c2cnn(-c3nc4c(c(NCc5cccc(I)c5)n3)N=C[N]4)c2)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.33 | Num_heavy_atoms: | 31 |
| TPSA: | 91.32 | NumAromaticRings: | 4 |
