Glycoside
GD030192
Name:
NoneFormula:
C12H19O5NSSmiles:
OC[C@@H]1O[C@H](CNCc2cccs2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNCc1cccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.35 | Num_heavy_atoms: | 19 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD07468
Formula: C6H9NS
Smiles:
CNCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.21 | Num_heavy_atoms: | 8 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
