Glycoside
GD002748
Name:
NoneFormula:
C25H24O8N10SSmiles:
Nc1cccc(-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.Nc1cccc(-c2cn(-c3nc(N)c4c(n3)[N]C=N4)nn2)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.2 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.6 | Num_heavy_atoms: | 44 |
| TPSA: | 268.74 | 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 |
AD02587
Formula: C13H10N9
Smiles:
Nc1cccc(-c2cn(-c3nc(N)c4c(n3)[N]C=N4)nn2)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 292.29 | Num_heavy_atoms: | 22 |
| TPSA: | 134.99 | NumAromaticRings: | 3 |
