Glycoside
GD018264
Name:
NoneFormula:
C26H25O8N9SSmiles:
Cc1cccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@H](O)[C@H]5O)c4n3)nn2)c1Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Cc1cccc(-c2cn(-c3nc(N)c4c(n3)[N]C=N4)nn2)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 623.61 | Num_heavy_atoms: | 44 |
| TPSA: | 242.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD12918
Formula: C14H11N8
Smiles:
Cc1cccc(-c2cn(-c3nc(N)c4c(n3)[N]C=N4)nn2)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.3 | Num_heavy_atoms: | 22 |
| TPSA: | 108.97 | NumAromaticRings: | 3 |
