Summary

IMPPAT Phytochemical identifier: IMPHY011466

Phytochemical name: alpha-L-Mannopyranoside, 3,4-dihydro-4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-

Synonymous chemical names:
leucodelphinidin-3-o-alpha-l-rhamnopyranoside, leucodelphinidin-3-o-alpha-lrhamnopyranoside

External chemical identifiers:
CID:156804

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Chemical structure information

SMILES:
OCC1OC(OC2C(C)OC(C(C2O)O)OC2C(Oc3c(C2O)c(O)cc(c3)O)c2cc(O)c(c(c2)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C27H34O17/c1-7-23(43-27-21(38)19(36)17(34)14(6-28)42-27)20(37)22(39)26(40-7)44-25-18(35)15-10(30)4-9(29)5-13(15)41-24(25)8-2-11(31)16(33)12(32)3-8/h2-5,7,14,17-39H,6H2,1H3

InChIKey:
LTQCWUJVAPKOBF-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCC)OCCC6O))O))OCCOccC6O))cO)ccc6)O)))))))cccO)ccc6)O))O)))))))))))))CCC6O))O))O

Functional groups:
CO, COC(C)OC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2Oc3ccccc3CC2OC2CCC(OC3CCCCO3)CO2)cc1

Scaffold Graph/Node level:
C1CCC(C2OC3CCCCC3CC2OC2CCC(OC3CCCCO3)CO2)CC1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CC4CCCCC4CC3C3CCCCC3)CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavan-3-ols, Flavandiols (Leucoanthocyanidins)

NP-Likeness score: 2.095

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Chemical structure download