Glycoside
GD140951
Name:
1,3-dihydroxy-9-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthene-4-sulfonic acidFormula:
C19H18O13SSmiles:
O=c1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2oc2c(S(=O)(=O)O)c(O)cc(O)c12Aglycone:
O=c1c2cccc(O)c2oc2c(S(=O)(=O)O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.41 | Num_heavy_atoms: | 33 |
| TPSA: | 224.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD56822
Formula: C13H8O8S
Smiles:
O=c1c2cccc(O)c2oc2c(S(=O)(=O)O)c(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 324.27 | Num_heavy_atoms: | 22 |
| TPSA: | 145.27 | NumAromaticRings: | 3 |
