Glycoside
GD096877
Name:
NoneFormula:
C21H25O7N5SSmiles:
CN(C)c1cccc2c(S(=O)(=O)Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.53 | Num_heavy_atoms: | 34 |
| TPSA: | 180.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD41181
Formula: C16H16O3N5S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cccc12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.4 | Num_heavy_atoms: | 25 |
| TPSA: | 118.96 | NumAromaticRings: | 2 |
