Glycoside
GD150845
Name:
[(3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]sulfonic acidFormula:
C13H18O11SSmiles:
O=S(=O)(O)OCc1cccc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)OCc1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.34 | Num_heavy_atoms: | 25 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD60216
Formula: C7H8O6S
Smiles:
O=S(=O)(O)OCc1cccc(O)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.2 | Num_heavy_atoms: | 14 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
