Glycoside
GD114331
Name:
{[(1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acidFormula:
C18H25O13NS2Smiles:
C=CCC(=NOS(=O)(=O)O)SC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=CCC(S)=NOS(=O)(=O)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.53 | Num_heavy_atoms: | 34 |
| TPSA: | 190.39 | NumAromaticRings: | 0 |
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 |
AD24681
Formula: C4H7O4NS2
Smiles:
C=CCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 197.24 | Num_heavy_atoms: | 11 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
