Trestatin B

2-[5-[5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Trestatin B|Trestatin|Ro 09-0184|2-[5-[5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|alpha-D-Glucopyranoside, alpha-D-glucopyranosyl O-4,6-dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-|4,6-Dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranoside|4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranoside

Molecular Formula	C37H63NO28
Molecular Weight	969.35364 g/mol
LogP	-12.9161
Topological Polar Surface Area	479.47 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	29
Rotatable Bonds	15
Exact Mass	969.35364
Monoisotopic Mass	969.35364
Heavy Atoms	66
Complexity	1549.4734

Chemical Identifiers

CAS Number	71869-92-6
SMILES	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(C(C(C(O5)CO)O)O)O)CO)CO)CO)O)O)NC6C=C(C(C(C6O)O)O)CO