Glycoside
GD005588
Name:
NoneFormula:
C28H29O10N7SSmiles:
CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(C(=O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cc2)cc1)C(N)=OAglycone:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(CC(NC(C)=O)C(N)=O)cc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 655.65 | Num_heavy_atoms: | 46 |
| TPSA: | 261.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04727
Formula: C19H20O7N2S
Smiles:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(CC(NC(C)=O)C(N)=O)cc2)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.44 | Num_heavy_atoms: | 29 |
| TPSA: | 141.86 | NumAromaticRings: | 2 |
