Glycoside
GD001448
Name:
NoneFormula:
C22H19O6NCl2SSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ncc(-c4ccoc4)s3)c(Cl)cc2Cl)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.35 | Num_heavy_atoms: | 30 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD01453
Formula: C16H9ONCl2S
Smiles:
Clc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.21 | Num_heavy_atoms: | 19 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
