Glycoside
GD092500
Name:
NoneFormula:
C20H21O8NSSmiles:
Cc1csc(-c2coc3cc(OC[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)ccc3c2=O)n1Aglycone:
COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD40339
Formula: C14H11O3NS
Smiles:
COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.31 | Num_heavy_atoms: | 19 |
| TPSA: | 52.33 | NumAromaticRings: | 3 |
