Glycoside
GD005202
Name:
NoneFormula:
C20H23O4N2ClSSmiles:
CC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(SC)cn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CSc1cnc(Cc2ccccc2Cl)nc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.92 | Num_heavy_atoms: | 27 |
| TPSA: | 95.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD04445
Formula: C13H11N2ClS
Smiles:
CSc1cnc(Cc2ccccc2Cl)nc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.75 | Num_heavy_atoms: | 16 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
