Glycoside
GD016232
Name:
NoneFormula:
C25H29O7N2ClSSmiles:
CN(C)CCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CN(C)CCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.02 | Num_heavy_atoms: | 35 |
| TPSA: | 128.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD11715
Formula: C19H19O2N2ClS
Smiles:
CN(C)CCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.28 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.88 | Num_heavy_atoms: | 24 |
| TPSA: | 38.5 | NumAromaticRings: | 3 |
