Glycoside
GD005755
Name:
NoneFormula:
C19H23O5NSSmiles:
OC[C@@H]1O[C@H](c2ccc3c(c2)[C@H](c2cccs2)NCC3)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1csc(C2NCCc3ccccc32)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.46 | Num_heavy_atoms: | 26 |
| TPSA: | 102.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD04841
Formula: C13H13NS
Smiles:
c1csc(C2NCCc3ccccc32)c1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.32 | Num_heavy_atoms: | 15 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
