Glycoside
GD018555
Name:
NoneFormula:
C22H36O14N2SSmiles:
COC1OC(CSC2(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)COC(C)=O)O2)C(O)C(O)C1NC(C)=OAglycone:
CSC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)COC(C)=O)O1Sugarmoiety:
COC1OC(O)C(O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 584.6 | Num_heavy_atoms: | 39 |
| TPSA: | 250.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD02335
Formula: C14H23O9NS
Smiles:
CSC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)COC(C)=O)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.4 | Num_heavy_atoms: | 25 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
