Glycoside
GD102444
Name:
NoneFormula:
C18H18O6N5ClS2Smiles:
Cc1cccc(Cl)c1S(=O)(=O)Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1cccc(Cl)c1S(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.95 | Num_heavy_atoms: | 31 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43363
Formula: C13H9O2N5ClS2
Smiles:
Cc1cccc(Cl)c1S(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.82 | Num_heavy_atoms: | 22 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
