Summary

SMILES: OC(=O)[C@@H]1OC(=O)c2cc(O)c(c(c2-c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3-c3c(C(=O)OC[C@H]1OC(=O)c1cc(O)c(c(c1)O)O)cc(c(c3O)O)O)O)O)cc(c(c2O)O)O)O)O
InChI: InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)37(59)65-19-7-64-38(60)9-3-15(44)25(49)29(53)20(9)21-10(4-16(45)26(50)30(21)54)39(61)66-33(19)34-35(36(57)58)68-41(63)12-6-18(47)28(52)32(56)23(12)22-11(40(62)67-34)5-17(46)27(51)31(22)55/h1-6,19,33-35,42-56H,7H2,(H,57,58)/t19-,33-,34+,35-/m1/s1
InChIKey: RBCBWTZJWLFGTN-RSWITDGQSA-N
DeepSMILES: OC=O)[C@@H]OC=O)cccO)ccc6-ccC=O)O[C@H]%14[C@@H]OC=O)cccO)ccc6-ccC=O)OC[C@H]%15OC=O)cccO)ccc6)O))O)))))))))))cccc6O))O))O))))))O))O)))))))))))cccc6O))O))O))))))O))O
Scaffold Graph/Node/Bond level: O=C(OC1COC(=O)c2ccccc2-c2ccccc2C(=O)OC1C1COC(=O)c2ccccc2-c2ccccc2C(=O)O1)c1ccccc1
Scaffold Graph/Node level: OC(OC1COC(O)C2CCCCC2C2CCCCC2C(O)OC1C1COC(O)C2CCCCC2C2CCCCC2C(O)O1)C1CCCCC1
Scaffold Graph level: CC(CC1CCC(C)C2CCCCC2C2CCCCC2C(C)CC1C1CCC(C)C2CCCCC2C2CCCCC2C(C)C1)C1CCCCC1
Functional groups: CC(=O)O; cC(=O)OC; cO

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Tannins
ClassyFire Subclass: Hydrolyzable tannins
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenolic acids (C6-C1)
NP Classifier Class: Gallotannins

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Synonymous chemical names:
hippophaenin a

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External chemical identifiers:
CID:16142774; ZINC:ZINC000196284393

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Chemical structure download