Glycoside
GD093927
Name:
NoneFormula:
C18H27O12NSSmiles:
COc1cc(/C=C/C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc(OC)c1OCAglycone:
COS(O)(O)O.COc1cc(C=CC(N)=O)cc(OC)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 481.48 | Num_heavy_atoms: | 32 |
| TPSA: | 196.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD22179
Formula: C12H15O4N
Smiles:
COc1cc(C=CC(N)=O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 237.25 | Num_heavy_atoms: | 17 |
| TPSA: | 70.78 | NumAromaticRings: | 1 |
