Glycoside
GD005037
Name:
NoneFormula:
C31H36O9N4SSmiles:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(=O)N[C@H]4[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]4OC)cccc23)c(OC)c1Aglycone:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 188.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD04316
Formula: C24H24O4N4S
Smiles:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.55 | Num_heavy_atoms: | 33 |
| TPSA: | 123.41 | NumAromaticRings: | 4 |
