Summary

IMPPAT Phytochemical identifier: IMPHY003049

Phytochemical name: Hypromellosum

Synonymous chemical names:
sativin ii

External chemical identifiers:
CID:24832095

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Chemical structure information

SMILES:
COCC1OC(OC2C(COCC(O)C)OC(C(C2OCC(O)C)OCC(O)C)OC)C(C(C1OC1OC(CO)C(C(C1O)O)OC)OC)OC

InChI:
InChI=1S/C32H60O19/c1-15(34)10-44-14-20-25(27(45-11-16(2)35)29(31(43-8)48-20)46-12-17(3)36)51-32-28(42-7)26(41-6)24(19(49-32)13-39-4)50-30-22(38)21(37)23(40-5)18(9-33)47-30/h15-38H,9-14H2,1-8H3

InChIKey:
VUKAUDKDFVSVFT-UHFFFAOYSA-N

DeepSMILES:
COCCOCOCCCOCCO)C)))))OCCC6OCCO)C)))))OCCO)C)))))OC)))))))CCC6OCOCCO))CCC6O))O))OC))))))))OC)))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCC(OC3CCCOC3)OC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCC(OC3CCCOC3)OC2)OC1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CCCCC3)CC2)CC1

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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-Likeness score: 1.039

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Chemical structure download