Glycoside
GD005363
Name:
NoneFormula:
C28H36O9N2SSmiles:
COc1c(O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](CNC(C)=O)CC2Aglycone:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(CNC(C)=O)CC2Sugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 576.67 | Num_heavy_atoms: | 40 |
| TPSA: | 169.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD02636
Formula: C22H25O5NS
Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(CNC(C)=O)CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.51 | Num_heavy_atoms: | 29 |
| TPSA: | 84.86 | NumAromaticRings: | 2 |
