This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Deslanoside

PubChem CID: 28620

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms deslanoside, 17598-65-1, Desacetyllanatoside C, Deacetyllanatoside C, Cedilanid-D, Deslanosido, Desace, Deslanosidum, Sediranido, Lekozid, Deslanosidum C, glucodigoxin, Deacetylanatoside C, Deslanosid, Desacetyl-Lanatoside C, Lanatoside C, deacetyl-, Deslanosidum [INN-Latin], Deslanosido [INN-Spanish], Cedilanide, EINECS 241-568-1, UNII-YGY317RK75, BRN 0078187, YGY317RK75, DTXSID1022897, CHEBI:31468, Deslanatoside C, DTXCID302897, Deslanoside [USP:INN:BAN:JAN], 4-18-00-02455 (Beilstein Handbook Reference), 3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolid, Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-, Desacetyldigilanide C, Deslanosidum (INN-Latin), Deslanosido (INN-Spanish), DESLANOSIDE (MART.), DESLANOSIDE [MART.], DESLANOSIDE (USP-RS), DESLANOSIDE [USP-RS], (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-, Desacetyl Lanatoside, DESLANOSIDE (EP MONOGRAPH), DESLANOSIDE (USP IMPURITY), Deslanoside (USP:INN:BAN:JAN), DESLANOSIDE [EP MONOGRAPH], DESLANOSIDE [USP IMPURITY], Deacetyl-lanatoside C, 3-[(O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide, 3beta-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide, Cedilanid-d (TN), CAS-17598-65-1, Lanatoside, Desacetyl, NCGC00159441-02, (3beta,5beta,12beta)-3-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide, 3beta-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide, Deacetyllanatoside C, Desacetyllanatoside C, MFCD00135818, Deslanoside (Standard), DESLANOSIDE [MI], DESLANOSIDE [INN], DESLANOSIDE [JAN], DESLANOSIDE [VANDF], CHEMBL1614, DESLANOSIDE [WHO-DD], SCHEMBL125311, GTPL6806, Deslanoside (JP18/USP/INN), HY-A0154R, C01AA07, DESLANOSIDE [ORANGE BOOK], HY-A0154, Tox21_111671, AKOS040759327, Tox21_111671_1, DB01078, MD65946, NCGC00159441-03, 1ST11160, MS-31757, CS-0017480, NS00025778, D01240, E88575, EN300-23839400, Q5264583, BRD-K99919177-001-01-3, (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, 241-568-1, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide, 3beta-(beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide, CARD-20(22)-ENOLIDE, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 282.0
Hydrogen Bond Donor Count 9.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CCC(C2CCC3C2CCC2C4CCC(CC5CCC(CC6CCC(CC7CCC(CC8CCCCC8)CC7)CC6)CC5)CC4CCC23)C1
Np Classifier Class Cardenolides
Deep Smiles OC[C@H]O[C@@H]O[C@H][C@@H]O)C[C@@H]O[C@@H]6C)))O[C@H][C@@H]O)C[C@@H]O[C@@H]6C)))O[C@H][C@@H]O)C[C@@H]O[C@@H]6C)))O[C@H]CC[C@][C@@H]C6)CC[C@@H][C@@H]6C[C@@H]O)[C@][C@]6O)CC[C@@H]5C=CC=O)OC5)))))))))C)))))))))C)))))))))))))))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 66.0
Classyfire Class Steroids and steroid derivatives
Scaffold Graph Node Level OC1CC(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCC(OC8CCCCO8)CO7)CO6)CO5)CC4CCC23)CO1
Classyfire Subclass Steroid lactones
Isotope Atom Count 0.0
Molecular Complexity 1760.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 26.0
Uniprot Id P05023, P25779, P10636, O75496, Q9NUW8, n.a., P0DTD1, P10275, Q16236, Q03181, P19838
Iupac Name 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Prediction Hob 0.0
Class Steroids and steroid derivatives
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Target Id NPT51
Xlogp -0.3
Superclass Lipids and lipid-like molecules
Subclass Steroid lactones
Gsk 4 400 Rule False
Molecular Formula C47H74O19
Scaffold Graph Node Bond Level O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCC(OC8CCCCO8)CO7)CO6)CO5)CC4CCC23)CO1
Prediction Swissadme 0.0
Inchi Key OBATZBGFDSVCJD-LALPQLPRSA-N
Fcsp3 0.9361702127659576
Logs -4.042
Rotatable Bond Count 10.0
State Solid
Logd 2.517
Synonyms (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, 3-[(O-beta-D-Glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide, Deacetyllanatoside C, Desacetyllanatoside C, Deslanosido, Deslanosidum, Glucodigoxin, Cedilanid-D, (3b,5b,12b)-3-{[b-D-glucopyranosyl-(1->4)-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-b-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, (3Β,5β,12β)-3-{[β-D-glucopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, 3-[(O-b-D-Glucopyranosyl-(1->4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3b,5b,12b-card-20(22)-enolide, 3-[(O-Β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3β,5β,12β-card-20(22)-enolide, Desacetyl lanatoside, Desacetyldigilanide C, Deslanatoside C, C, Desacetyldigilanide, C, Desacetyllanatoside, C, Deslanatoside, Cedilanid D, CedilanidD, Lanatoside, desacetyl, desacetyllanatoside-c
Functional Groups CC1=CC(=O)OC1, CO, CO[C@@H](C)OC, C[C@H](OC)OC
Compound Name Deslanoside
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 942.482
Formal Charge 0.0
Monoisotopic Mass 942.482
Hydrogen Bond Acceptor Count 19.0
Molecular Weight 943.1
Covalent Unit Count 1.0
Total Atom Stereocenter Count 26.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteropolycyclic compounds
Lipinski Rule Of 5 False
Esol -4.712158
Inchi InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
Smiles C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Cardenolide glycosides and derivatives
Np Classifier Superclass Steroids

Back to Browse   Back to Home