Bouvardin

(1R,4S,7S,10S,13R,16R)-17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

Also Known As: Bouvardin|Bouvardin (9CI)|NCIStruc1_000155|4-aminopyridine-3-sulfonic Acid|KST-1A7266|dihydroxy-[(4-methoxyphenyl)methyl]-hexamethyl-[?]hexone|(1r,4s,7s,10s,13r,16r)-17,24-dihydroxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone|(1R,4S,7S,10S,13R,16R)-17,24-Dihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

Molecular Formula	C40H48N6O10
Molecular Weight	772.3432 g/mol
LogP	1.03
Topological Polar Surface Area	207.15 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	772.3432
Heavy Atoms	56
Complexity	1972.6

Chemical Identifiers

CAS Number	64755-14-2
SMILES	C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@@H]2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H](C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C