Glycoside
GD135233
Name:
{[(2-phenylethyl)imino]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl})methoxy}sulfonic acidFormula:
C15H21O9NS2Smiles:
O=S(=O)(O)OC(=NCCc1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)OC(S)=NCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.47 | Num_heavy_atoms: | 27 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD54687
Formula: C9H11O4NS2
Smiles:
O=S(=O)(O)OC(S)=NCCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.32 | Num_heavy_atoms: | 16 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
