Lucyoside B

CAT: 0926-RDA17419-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-RDA17419-01Size:1 mg

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CAS Number

91174-19-5

Smiles

C[C@@]12CC[C@@H]3[C@@] ([C@H]1CC=C4[C@]2 (CC[C@@]5 ([C@H]4CC (CC5) (C) C) C (=O) O[C@H]6[C@@H] ([C@H] ([C@@H] ([C@H] (O6) CO) O) O) O) C) (C[C@H] ([C@@H] ([C@@]3 (C) CO) O[C@H]7[C@@H] ([C@H] ([C@@H] ([C@H] (O7) CO) O) O) O) O) C

Molecular Formula

C42H68O15

Molecular Weight

812.99 g/mol

Controlled

Chemical Information

Lucyoside B

Lucyoside B has been reported in Luffa aegyptiaca with data available.

CAS Number	91174-19-5
PubChem CID	13518118
IUPAC Name	[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C42H68O15
Molecular Weight	813.0
XLogP	1.9
Topological Polar Surface Area	256
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Heavy Atom Count	57
Formal Charge	0
Complexity	1540

SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C

InChI

InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(52)30(50)28(48)24(18-44)55-35)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)56-34-31(51)29(49)27(47)23(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1

InChIKey

ZUILGDNVKPMVIA-QDZACNFGSA-N

Chemical Structure

2D Structure

CAS: 91174-19-5

CID: 13518118

Formula: C42H68O15

MW: 813.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	813.0
XLogP3	1.9
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	812.45582146
Monoisotopic Mass	812.45582146
Topological Polar Surface Area	256 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1540
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T32931	Lucyoside R
AB0092	Lucyoside B
HY-N15145-01	Lucyoside E
371663	Lucyoside B discontinued

Lucyoside B

Chemical Information

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