Glycoside
GD010581
Name:
NoneFormula:
C23H31O5N2ClSSmiles:
CCCCCCCc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCCCc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 471.02 | Num_heavy_atoms: | 31 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD08150
Formula: C17H21N2ClS
Smiles:
CCCCCCCc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 308.88 | Num_heavy_atoms: | 20 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
