Glycoside
GD004043
Name:
NoneFormula:
C24H24O8N6SSmiles:
Cc1ccc(-c2cc3c(nnn3[C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@H](O)[C@H]3O)c(N)n2)cc1Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Cc1ccc(-c2cc3c(c(N)n2)N=N[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 212.01 | NumAromaticRings: | 4 |
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 |
AD03585
Formula: C12H10N5
Smiles:
Cc1ccc(-c2cc3c(c(N)n2)N=N[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 77.73 | NumAromaticRings: | 2 |
