Glycoside
GD026541
Name:
NoneFormula:
C25H27O5N2ClSSmiles:
CCCc1ccc(-c2nnc(Cc3cc(C4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)cc1Aglycone:
CCCc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.01 | Num_heavy_atoms: | 33 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD17489
Formula: C19H17N2ClS
Smiles:
CCCc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.87 | Num_heavy_atoms: | 22 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
