Camellidin I

6-[(12a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Also Known As: Camellidin I|Camellidin monoacetate|6-[(12a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, (3beta)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-4))-|I(2)-D-Glucopyranosiduronic acid, (3I(2))-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I(2)-D-galactopyranosyl-(1a4)]-

Molecular Formula	C55H86O25
Molecular Weight	1146.5458 g/mol
LogP	-0.4
Topological Polar Surface Area	397.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	25
Rotatable Bonds	14
Exact Mass	1146.5458
Monoisotopic Mass	1146.5458
Heavy Atoms	80
Complexity	2300.0

Chemical Identifiers

CAS Number	96827-22-4
SMILES	CC(=O)OC12CC(CCC1C(=O)CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)(C)C
InChIKey	TVDLDADJOJWXBX-UHFFFAOYSA-N