RefChem:1068860

33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

CAS: 1400-61-9

Molecular Formula	`C47H75NO17`
Molecular Weight	926.1 g/mol
LogP	-0.2
Topological Polar Surface Area	320.0 A2
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	18
Rotatable Bonds	3
Exact Mass	925.5035
Heavy Atoms	65
Complexity	1620.0

Chemical Identifiers

CAS Number	1400-61-9
SMILES	`CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O`
InChIKey	`VQOXZBDYSJBXMA-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1068860 (CAS: 1400-61-9) is a chemical compound with molecular formula C47H75NO17 and molecular weight 926.1 g/mol. Its IUPAC systematic name is 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid. LogP -0.2 Topological Polar Surface Area 320.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 18 Rotatable Bonds 3 Exact Mass 925.5035 Heavy Atoms 65 Complexity 1620.0 InChI Key: VQOXZBDYSJBXMA-UHFFFAOYSA-N. SMILES: CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O.

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