Glycoside
GD020347
Name:
NoneFormula:
C19H21O4N6SISmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(SC)nc32)[C@H](O)[C@H]1OAglycone:
CSc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.39 | Num_heavy_atoms: | 31 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD14060
Formula: C13H11N5SI
Smiles:
CSc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.24 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
