Glycoside
GD094642
Name:
NoneFormula:
C14H16O7N5ClS2Smiles:
Cc1nc(Cl)sc1S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1nc(Cl)sc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.89 | Num_heavy_atoms: | 28 |
| TPSA: | 189.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD40534
Formula: C9H7O3N5ClS2
Smiles:
Cc1nc(Cl)sc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.76 | Num_heavy_atoms: | 19 |
| TPSA: | 128.61 | NumAromaticRings: | 1 |
