Gypenoside Xlix

CAS

94987-08-3

Catalog Number

ACM94987083

Category

Other Products

Molecular Weight

1047.23

Molecular Formula

C52H86O21

MSDS COA Spec Sheet

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Specification

Synonyms

Gypenoside XLIX;(3beta)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-[beta-D-xylopyranosyl-(1-3)]-alpha-L-arabinopyranosyl)oxy]-21-(beta-D-glucopyranosyloxy)-20-hydroxy-dammar-24-en-19-al

IUPAC Name

(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C(CCC=C(C)C)(COC7C(C(C(C(O7)CO)O)O)O)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)O

InChI

InChI=1S/C52H86O21/c1-24(2)9-8-15-52(65,23-68-45-40(63)38(61)36(59)30(19-53)70-45)27-12-16-49(6)26(27)10-11-32-50(49,7)17-13-31-48(4,5)33(14-18-51(31,32)22-54)71-47-43(73-46-41(64)37(60)34(57)25(3)69-46)42(29(56)21-67-47)72-44-39(62)35(58)28(55)20-66-44/h9,22,25-47,53,55-65H,8,10-21,23H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,49+,50+,51+,52+/m0/s1

InChI Key

AFEVCSJFNQWWDF-AZFNEDKCSA-N

Density

1.41

Appearance

White powder

What is the molecular formula of Gypenoside XLIX?

The molecular formula of Gypenoside XLIX is C52H86O21.

What is the molecular weight of Gypenoside XLIX?

The molecular weight of Gypenoside XLIX is 1047.2 g/mol.

When was Gypenoside XLIX created and modified?

Gypenoside XLIX was created on 2007-04-02 and modified on 2023-12-30.

What is the IUPAC name of Gypenoside XLIX?

The IUPAC name of Gypenoside XLIX is (3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.

What is the InChI of Gypenoside XLIX?

The InChI of Gypenoside XLIX is InChI=1S/C52H86O21/c1-24(2)9-8-15-52(65,23-68-45-40(63)38(61)36(59)30(19...

How many hydrogen bond donor counts does Gypenoside XLIX have?

Gypenoside XLIX has 12 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Gypenoside XLIX have?

Gypenoside XLIX has 21 hydrogen bond acceptor counts.

What is the exact mass of Gypenoside XLIX?

The exact mass of Gypenoside XLIX is 1046.56615975 g/mol.

How many rotatable bond counts does Gypenoside XLIX have?

Gypenoside XLIX has 15 rotatable bond counts.

What is the topological polar surface area of Gypenoside XLIX?

The topological polar surface area of Gypenoside XLIX is 334 Å2.