Summary

IMPPAT Phytochemical identifier: IMPHY012513

Phytochemical name: Glycoprotein

Synonymous chemical names:
glycoprotein

External chemical identifiers:
CID:439212

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Chemical structure information

SMILES:
OC[C@H]1OC(NC(=O)C[C@@H](C(=O)N)NC(=O)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)NC(=O)C

InChI:
InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1

InChIKey:
LUNCCTMWZWBSKQ-QHFAZAOBSA-N

DeepSMILES:
OC[C@H]OCNC=O)C[C@@H]C=O)N))NC=O)C)))))))[C@@H][C@H][C@@H]6O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6NC=O)C))))O))O[C@@H]O[C@H]CO))[C@H][C@@H][C@@H]6O))O))O))))))))))))O))NC=O)C

Functional groups:
CC(=O)NC, CC(=O)NC(C)OC, CC(N)=O, CO, CO[C@@H](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 Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Aminosugars and aminoglycosides

NP Classifier Class: Aminosugars

NP-Likeness score: 0.855

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Chemical structure download