Glycoside
GD011084
Name:
NoneFormula:
C18H17O5N4SISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1ccc(CSc2ncnc3c2C(I)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.33 | Num_heavy_atoms: | 29 |
| TPSA: | 123.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD08496
Formula: C13H8O2N4SI
Smiles:
O=[N+]([O-])c1ccc(CSc2ncnc3c2C(I)=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.2 | Num_heavy_atoms: | 21 |
| TPSA: | 83.02 | NumAromaticRings: | 2 |
