Glycoside
GD032787
Name:
NoneFormula:
C17H18O4N3ClSSmiles:
C=CCO[C@@H]1O[C@H](Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)[C@H](O)[C@H]1OAglycone:
Cn1c(-c2ccc(Cl)cc2)n[nH]c1=SSugarmoiety:
C=CCOC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.86 | Num_heavy_atoms: | 25 |
| TPSA: | 92.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD20979
Formula: C10H8N3ClS
Smiles:
Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 225.7 | Num_heavy_atoms: | 14 |
| TPSA: | 33.61 | NumAromaticRings: | 2 |
