Glycoside
GD145266
Name:
({[2-(3,4,5-trimethoxyphenyl)-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acidFormula:
C25H33O16NS2Smiles:
COc1cc(CC(=NOS(=O)(=O)O)SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc(OC)c1OCAglycone:
COC(C)=O.COc1cc(CC(S)=NOS(=O)(=O)O)cc(OC)c1OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 667.66 | Num_heavy_atoms: | 44 |
| TPSA: | 218.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD54372
Formula: C11H15O7NS2
Smiles:
COc1cc(CC(S)=NOS(=O)(=O)O)cc(OC)c1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.38 | Num_heavy_atoms: | 21 |
| TPSA: | 103.65 | NumAromaticRings: | 1 |
