HD3 Glucopyranoside

(2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: HD3 Glucopyranoside|HD3G|1-Hydroxyvitamin D3 3-D-glucopyranoside|1alpha-Hydroxyvitamin D3 3beta-D-glucopyranoside|(2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, (1alpha,3beta,5Z,7E)-1-hydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl, endo-(+-)-

Molecular Formula	C33H52O8
Molecular Weight	576.3662 g/mol
LogP	4.5063
Topological Polar Surface Area	136.68 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	576.3662
Monoisotopic Mass	576.3662
Heavy Atoms	41
Complexity	1003.19196

Chemical Identifiers

CAS Number	91037-29-5
SMILES	C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C