Molecule ID: 124079395

IUPAC Name: (2R,3S,4S,5R,6S)-2-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol

Description: The molecule is a monoterpene glycoside with formula C21H34O10, originally isolated from the roots of Paeonia lactiflora. It has a role as a plant metabolite. It is a monoterpene glycoside and a disaccharide derivative. It derives from a beta-pinene.

SMILES: CO[C@H]1O[C@@H](/C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C2\CC[C@@H]3C[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [C][O][C@H1][O][C@@H1][Branch2][Ring2][Ring1][/C][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][=C][\C][C][C@@H1][C][C@H1][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][N][O]

InChI: InChI=1S/C21H34O10/c1-21(2)8-4-5-9(10(21)6-8)17(30-20-15(26)12(23)11(22)7-29-20)18-14(25)13(24)16(27)19(28-3)31-18/h8,10-16,18-20,22-27H,4-7H2,1-3H3/b17-9-/t8-,10-,11+,12+,13+,14+,15-,16-,18-,19+,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -1.7