Glycoside
GD010014
Name:
NoneFormula:
C25H30O8N2SSmiles:
CNC1C(O[C@@H]2C#CC=CC#C[C@]3(O)CC(=O)C(NC(=O)OC)[C@]24SCCC=C43)OC(C)C(O)C1OAglycone:
COC(=O)NC1C(=O)CC2(O)C#CC=CC#CC(O)C13SCCC=C23Sugarmoiety:
CNC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.59 | Num_heavy_atoms: | 36 |
| TPSA: | 146.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD07789
Formula: C18H17O5NS
Smiles:
COC(=O)NC1C(=O)CC2(O)C#CC=CC#CC(O)C13SCCC=C23| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 359.4 | Num_heavy_atoms: | 25 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
