Glycoside
GD020725
Name:
NoneFormula:
C18H18O4N3SISmiles:
OC[C@@H]1O[C@H](n2cc(I)c3c(SCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
IC1=C[N]c2ncnc(SCc3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.33 | Num_heavy_atoms: | 27 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD10445
Formula: C13H9N3SI
Smiles:
IC1=C[N]c2ncnc(SCc3ccccc3)c21| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.21 | Num_heavy_atoms: | 18 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
