Glycoside
GD102201
Name:
NoneFormula:
C21H20O6N5ClSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1nnn(-c2ccccc2Cl)n1Aglycone:
O=C(Nc1ccc(S)cc1)c1nnn(-c2ccccc2Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 493.93 | Num_heavy_atoms: | 33 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD43251
Formula: C15H10ON5ClS
Smiles:
O=C(Nc1ccc(S)cc1)c1nnn(-c2ccccc2Cl)n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.79 | Num_heavy_atoms: | 22 |
| TPSA: | 72.7 | NumAromaticRings: | 3 |
