Glycoside
GD023126
Name:
NoneFormula:
C27H27O4N2ClSSmiles:
O=C(NCc1ccc(Cc2ccccc2)s1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccc(Cc2ccccc2)s1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.03 | Num_heavy_atoms: | 34 |
| TPSA: | 89.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD04593
Formula: C11H12NCl
Smiles:
Clc1cccc(C2CCCN2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.67 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD15588
Formula: C12H13NS
Smiles:
NCc1ccc(Cc2ccccc2)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.31 | Num_heavy_atoms: | 14 |
| TPSA: | 26.02 | NumAromaticRings: | 2 |
