Glycoside
GD027423
Name:
NoneFormula:
C18H31O13NSSmiles:
COC1OC(CO)C(SC2(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O2)C(O)C1OAglycone:
CC(=O)NC1C(O)CC(S)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -4.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.51 | Num_heavy_atoms: | 33 |
| TPSA: | 235.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD12876
Formula: C11H19O8NS
Smiles:
CC(=O)NC1C(O)CC(S)(C(=O)O)OC1C(O)C(O)CO| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.34 | Num_heavy_atoms: | 21 |
| TPSA: | 156.55 | NumAromaticRings: | 0 |
