Gypenoside Xlvi

CAS

94705-70-1

Catalog Number

ACM94705701

Category

Other Products

Molecular Weight

963.2

Molecular Formula

C48H82O19

MSDS COA Spec Sheet

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Specification

Synonyms

Gypenoside XLVI;(2alpha,3beta,12beta)-20-(beta-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

IUPAC Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C

InChI

InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-14-47(7)30(22)23(52)16-29-45(5)17-24(53)40(44(3,4)28(45)12-15-46(29,47)6)66-43-39(36(59)33(56)27(20-51)64-43)65-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,45-,46+,47+,48-/m0/s1

InChI Key

VENRSYBHHVDBDC-YETCIKTFSA-N

Appearance

Powder

What is the molecular formula of Gypenoside XLVI?

The molecular formula of Gypenoside XLVI is C48H82O19.

What is the PubChem CID of Gypenoside XLVI?

The PubChem CID of Gypenoside XLVI is 75090527.

What is the molecular weight of Gypenoside XLVI?

The molecular weight of Gypenoside XLVI is 963.2 g/mol.

When was Gypenoside XLVI created?

Gypenoside XLVI was created on July 3, 2014.

What is the IUPAC Name of Gypenoside XLVI?

The IUPAC Name of Gypenoside XLVI is 2-[2-[[2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the InChIKey of Gypenoside XLVI?

The InChIKey of Gypenoside XLVI is VENRSYBHHVDBDC-UHFFFAOYSA-N.

What is the XLogP3-AA value of Gypenoside XLVI?

The XLogP3-AA value of Gypenoside XLVI is 1.4.

How many hydrogen bond donor counts does Gypenoside XLVI have?

Gypenoside XLVI has 13 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Gypenoside XLVI have?

Gypenoside XLVI has 19 hydrogen bond acceptor counts.

How many rotatable bond counts does Gypenoside XLVI have?

Gypenoside XLVI has 13 rotatable bond counts.