Glycoside
GD015648
Name:
NoneFormula:
C20H21O5NSSmiles:
OC[C@@H]1O[C@H](c2cccc(Cc3nc4ccccc4s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2nc3ccccc3s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.46 | Num_heavy_atoms: | 27 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD11350
Formula: C14H11NS
Smiles:
c1ccc(Cc2nc3ccccc3s2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.32 | Num_heavy_atoms: | 16 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
