Glycoside
GD061000
Name:
NoneFormula:
C13H14O5N3ClSSmiles:
O[C@H]1O[C@H](Cn2cc(-c3ccc(Cl)s3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(-c2ccc(Cl)s2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.78 | Num_heavy_atoms: | 22 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29974
Formula: C8H6N3ClS
Smiles:
Cn1cc(-c2ccc(Cl)s2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.67 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
