Summary

IMPPAT Phytochemical identifier: IMPHY011336

Phytochemical name: Hypoloside B

Synonymous chemical names:
hypoloside b

External chemical identifiers:
CID:6440015

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=Cc1ccc(cc1)O)O)OC(=O)C

InChI:
InChI=1S/C32H40O11/c1-17-14-32(16-29(3,4)27(38)26(32)30(5,39)31(17)12-13-31)43-28-25(40-18(2)34)23(37)24(21(15-33)41-28)42-22(36)11-8-19-6-9-20(35)10-7-19/h6-11,14,21,23-26,28,33,35,37,39H,12-13,15-16H2,1-5H3/b11-8-/t21-,23+,24-,25-,26?,28+,30?,32?/m1/s1

InChIKey:
DVWGIWHUFAGTJO-CZMOEYDCSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCC=CC)CCC6C=O)CC9)C)C))))C)O))CC3)))))))[C@@H][C@H][C@@H]6OC=O)/C=Ccccccc6))O))))))))))O))OC=O)C

Functional groups:
CC(=O)OC, CC(C)=O, CC=C(C)C, CO, CO[C@@H](C)OC, c/C=CC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)OC1CCC(OC23C=CC4(CC4)CC2C(=O)CC3)OC1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OC1CCC(OC23CCC(O)C2CC2(CC2)CC3)OC1

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CCC(CC23CCC(C)C2CC2(CC2)CC3)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Illudane sesquiterpenoids

NP-Likeness score: 2.172

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Chemical structure download