Glycoside
GD003071
Name:
NoneFormula:
C18H30O13NSSmiles:
COC1OC(CSC2(C(=O)[O-])CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O2)C(O)C(O)C1OAglycone:
CSC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -6.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.5 | Num_heavy_atoms: | 33 |
| TPSA: | 238.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD02831
Formula: C12H20O8NS
Smiles:
CSC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.36 | Num_heavy_atoms: | 22 |
| TPSA: | 159.38 | NumAromaticRings: | 0 |
