Glycoside
GD024621
Name:
NoneFormula:
C20H25O5N2ClSSmiles:
CCCCc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.94 | Num_heavy_atoms: | 28 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD16408
Formula: C14H15N2ClS
Smiles:
CCCCc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 266.8 | Num_heavy_atoms: | 17 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
