Glycoside
GD014288
Name:
NoneFormula:
C23H28O5NClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(C4CCCCC4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(C2CCCCC2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.99 | Num_heavy_atoms: | 30 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD10528
Formula: C17H18NClS
Smiles:
Clc1ccccc1Cc1ncc(C2CCCCC2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.85 | Num_heavy_atoms: | 19 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
