Transsylvanoside A

(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

CAS: 155569-77-0

Molecular Formula	`C53H86O22`
Molecular Weight	1075.2 g/mol
LogP	-0.1
Topological Polar Surface Area	354.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	22
Rotatable Bonds	12
Exact Mass	1074.561
Heavy Atoms	75
Complexity	2060.0

Chemical Identifiers

CAS Number	155569-77-0
SMILES	`CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O`
InChIKey	`MQDPNHFRYVCDQE-WJBLRBLFSA-N`

📖 Product Overview

Transsylvanoside A (CAS: 155569-77-0) is a chemical compound with molecular formula C53H86O22 and molecular weight 1075.2 g/mol. Its IUPAC systematic name is (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. LogP -0.1 Topological Polar Surface Area 354.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 22 Rotatable Bonds 12 Exact Mass 1074.561 Heavy Atoms 75 Complexity 2060.0 InChI Key: MQDPNHFRYVCDQE-WJBLRBLFSA-N. SMILES: CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O.

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