Viewing Compound With Structures

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Compound Report Overview

Compound Name: ALLEOSIDE A
Compound Identifier: 706965
Mol Structure 2D: 706965
Molecular Weight: 535
Formula: C29 H42 O9
Development Status: Preclinical
SMILES: CC1OC(CC(O)C1O)OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223002D 0 0.00000 0.00000 0^^ 40 45 0 1 0 999 V2000^ 2.6417 0.5208 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1000 -0.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.6417 1.4875 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1000 -1.0792 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.8292 0.5208 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.7542 -0.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.9625 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.8625 -2.2375 0.0000 C 0 0 2 0 0 0 0 0 0^ -4.7708 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8625 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9125 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.6875 -3.2667 0.0000 C 0 0 1 0 0 0 0 0 0^ -4.7833 -3.7917 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.9125 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.6833 -2.2167 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.6375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7542 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9583 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9583 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8417 4.5667 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2667 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2750 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9583 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8875 -1.1042 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.6792 4.7625 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6417 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1250 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8458 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -6.5875 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6417 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7875 -4.8417 0.0000 O 0 0 0 0 0 0 0 0 0^ -6.5792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.7417 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 1 1 0 0 0^ 4 25 1 0 0 0^ 5 6 1 0 0 0^ 6 1 1 0 0 0^ 8 7 1 1 0 0^ 8 3 1 0 0 0^ 9 28 1 1 0 0^ 10 9 1 0 0 0^ 11 9 1 0 0 0^ 12 7 2 0 0 0^ 13 14 1 0 0 0^ 14 11 1 0 0 0^ 15 12 1 0 0 0^ 16 10 1 0 0 0^ 17 1 1 0 0 0^ 18 3 1 0 0 0^ 19 4 1 0 0 0^ 20 2 1 0 0 0^ 21 5 1 0 0 0^ 22 26 1 0 0 0^ 23 17 1 0 0 0^ 24 6 1 0 0 0^ 25 24 1 0 0 0^ 26 7 1 0 0 0^ 2 27 1 1 0 0^ 29 28 1 1 0 0^ 29 19 1 0 0 0^ 30 15 2 0 0 0^ 1 31 1 1 0 0^ 4 32 1 1 0 0^ 33 27 2 0 0 0^ 34 20 1 0 0 0^ 13 35 1 6 0 0^ 3 36 1 1 0 0^ 14 37 1 6 0 0^ 16 38 1 1 0 0^ 5 39 1 6 0 0^ 6 40 1 1 0 0^ 23 8 1 0 0 0^ 21 18 1 0 0 0^ 4 2 1 0 0 0^ 29 34 1 0 0 0^ 15 22 1 0 0 0^ 13 16 1 0 0 0^M END^^
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