Dioscin

• CAS: 19057-60-4
• Catalog Number: ACM19057604
• Category: Other Products
• Molecular Weight: 869.05
• Molecular Formula: C45H72O16
• Synonyms: DIOSCIN;beta-d-glucopyranoside,(3-beta,25r)-spirost-5-en-3-ylo-6-deoxy-alpha-l-mannop;collettisideiii;dioscine;yranosyl-(1-2)-o-(6-deoxy-alpha-l-mannopyranosyl)-(1-4))-;DIOSCIN(P);β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-;(25R)-3β-[2-O,4-O-Bis(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]spirosta-5-ene
• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
• InChI: InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
• InChI Key: VNONINPVFQTJOC-ZGXDEBHDSA-N
• Appearance: White powder

Custom Q&A

What is the molecular formula of Dioscin?

The molecular formula of Dioscin is C45H72O16.

What is the molecular weight of Dioscin?

The molecular weight of Dioscin is 869.0 g/mol.

What is the IUPAC name of Dioscin?

The IUPAC name of Dioscin is (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0 2,9 .0 4,8 .0 13,18 ]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

What is the InChI of Dioscin?

The InChI of Dioscin is InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1.

What is the InChIKey of Dioscin?

The InChIKey of Dioscin is VNONINPVFQTJOC-ZGXDEBHDSA-N.

What is the Canonical SMILES of Dioscin?

The Canonical SMILES of Dioscin is CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1.

What is the CAS number of Dioscin?

The CAS number of Dioscin is 19057-60-4.

What is the ChEMBL ID of Dioscin?

The ChEMBL ID of Dioscin is CHEMBL507001.

What is the XLogP3-AA value of Dioscin?

The XLogP3-AA value of Dioscin is 1.3.

What is the hydrogen bond donor count and acceptor count of Dioscin?

The hydrogen bond donor count of Dioscin is 8, and the hydrogen bond acceptor count is 16.