Molecule ID: 91852931

IUPAC Name: (2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Description: The molecule is a glycosylglucopyranuronic acid consisting of beta-D-xylopyranose and beta-D-glucopyranuronic acid residues joined in sequence by a (1->4) glycosidic bond. It is a monocarboxylic acid and a glycosylglucopyranuronic acid. It derives from a beta-D-glucuronic acid and a beta-D-xylose.

SMILES: O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=C][Branch1][C][O][C@H1][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]

InChI: InChI=1S/C11H18O11/c12-2-1-20-11(6(16)3(2)13)22-7-4(14)5(15)10(19)21-8(7)9(17)18/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3+,4-,5-,6-,7+,8+,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: -4.4