ARALOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H74O18
Molecular Weight	927.0797
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=KQSFNXMDCOFFGW-GNDIVNLPSA-N

InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H74O18
Molecular Weight	927.0797
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:30:50 GMT 2023` Edited by `admin` on `Sat Dec 16 09:30:50 GMT 2023`
Record UNII	32BF7Y358G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARALOSIDE A

Common Name

English

Oleanoside E

Common Name

English

β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-

Common Name

English

Chikusetsusaponin 4

Common Name

English

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronic acid

Common Name

English

(2S,3S,4R,5R,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carb

Systematic Name

English

Chikusetsusaponin IV

Common Name

English

Code System Code Type Description

WIKIPEDIA

Araloside A