Transsylvanoside B

(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-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: 159407-52-0

Molecular Formula	`C53H86O22`
Molecular Weight	1075.2 g/mol
LogP	0.5
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	159407-52-0
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)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O`
InChIKey	`NGAGFMFFVYLRPZ-BTCOKJEUSA-N`

📖 Product Overview

Transsylvanoside B (CAS: 159407-52-0) 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)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-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 0.5 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: NGAGFMFFVYLRPZ-BTCOKJEUSA-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)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O.

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