Summary

SMILES: COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)cc(c(c2O)C(=O)C)C
InChI: InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-/m1/s1
InChIKey: XCIHPNCERQKEMU-IFEXPISBSA-N
DeepSMILES: COcccO[C@@H]O[C@H]CO[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))[C@H][C@@H][C@H]6O))O))O))))))ccc6)cccc6O))C=O)C)))C
Scaffold Graph/Node/Bond level: c1ccc2c(OC3CCCC(COC4CCCCO4)O3)cccc2c1
Scaffold Graph/Node level: C1CCC(OCC2CCCC(OC3CCCC4CCCCC43)O2)OC1
Scaffold Graph level: C1CCC(CCC2CCCC(CC3CCCC4CCCCC43)C2)CC1
Functional groups: CO; CO[C@@H](C)OC; cC(C)=O; cO; cOC; cO[C@@H](C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compounds
ClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Naphthalenes
NP Classifier Class: Naphthalenes and derivatives

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Synonymous chemical names:
torachrysone gentiobioside

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External chemical identifiers:
CID:503732; ZINC:ZINC000137891655

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Chemical structure download