Glycoside
GD008230
Name:
NoneFormula:
C19H23O8N5SSmiles:
CC(=O)N1CCOc2ccc(S(=O)(=O)NC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)cc21Aglycone:
CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 481.49 | Num_heavy_atoms: | 33 |
| TPSA: | 186.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06598
Formula: C11H14O4N2S
Smiles:
CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.31 | Num_heavy_atoms: | 18 |
| TPSA: | 75.71 | NumAromaticRings: | 1 |
