Glycoside
GD034297
Name:
NoneFormula:
C18H16O3N5ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(Nc4ccc(C#N)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
N#Cc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 477.26 | Num_heavy_atoms: | 27 |
| TPSA: | 116.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD21815
Formula: C13H7N5I
Smiles:
N#Cc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.14 | Num_heavy_atoms: | 19 |
| TPSA: | 75.7 | NumAromaticRings: | 2 |
