Glycoside
GD004136
Name:
NoneFormula:
C24H22O8N10SSmiles:
Nc1nc(-n2cc(-c3ccccn3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Nc1nc(-n2cc(-c3ccccn3)nn2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 255.61 | 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 |
AD03657
Formula: C12H8N9
Smiles:
Nc1nc(-n2cc(-c3ccccn3)nn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.26 | Num_heavy_atoms: | 21 |
| TPSA: | 121.86 | NumAromaticRings: | 3 |
