Paradrymonoside

CAT: 0013-GTR19228356-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19228356-01Size:1 mg

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Description

Paradrymonoside (CAS 177413-34-2) is a bioactive natural product used in life science research. It serves as a valuable tool compound for in vitro studies investigating biological pathways and potential pharmacological activities.

CAS Number

177413-34-2

Smiles

[H][C@@]12[C@H] (O) C (C) (C) CC[C@@]1 (CC[C@]1 (C) C2=CCC2[C@@]3 (C) C[C@@H] (O) [C@H] (O) [C@] (C) (C=O) C3CC[C@@]12C) C (=O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O

Molecular Formula

C36H56O11

Molecular Weight

664.833

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Paradrymonoside

Paradrymonoside has been reported in Aeschynanthus bracteatus, Drymonia macrophylla, and Trichodrymonia macrophylla with data available.

CAS Number	177413-34-2
PubChem CID	56776364
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C36H56O11
Molecular Weight	664.8
XLogP	2.6
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	47
Formal Charge	0
Complexity	1300

SMILES

C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)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)C=O)O)O)C

InChI

InChI=1S/C36H56O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,17,19-29,37,39-44H,8-16H2,1-6H3/t19-,20-,21?,22?,23-,24-,25+,26-,27+,28+,29+,32+,33-,34-,35-,36+/m1/s1

InChIKey

YINNEDVQUNYQEZ-BOTMRVARSA-N

Chemical Structure

2D Structure

CAS: 177413-34-2

CID: 56776364

Formula: C36H56O11

MW: 664.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	664.8
XLogP3	2.6
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	664.38226260
Monoisotopic Mass	664.38226260
Topological Polar Surface Area	194 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1300
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T125559-01	Paradrymonoside

Paradrymonoside

Chemical Information

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