- 13 of 13 defined stereocentres
3,4,5-Trihydroxy-2-({(1'R,3R,3aS,4'R,5'S,6S,6aR,23'R,25'S,26'R,35'R,36'R,37'R)-3a,6,11',12',15',16',17',31',32',36',37'-undecahydroxy-2,2',7',20',28',41'-hexaoxo-25'-[(3,4,5-trihydroxybenzoyl)oxy]-3a, 5,6,6a-tetrahydrospiro[furo[3,2-b]furan-3,39'-[3,6,21,24,27,38,42]heptaoxanonacyclo[35.2.2.1~33,36~.0~1,35~.0~4,23~.0~5,26~.0~8,13~.0~14,19~.0~29,34~]dotetraconta[8,10,12,14,16,18,29,31,33]nonaen]-10' -yl}oxy)benzoic acid
c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H]4[C@@H]([C@H](O2)COC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)Oc7c(cc(c(c7O)O)O)C(=O)O)C(=O)O4)O)O)O)OC(=O)[C@]89CC(=O)[C@]([C@]1([C@@H]8c2c(cc(c(c2O1)O)O)C(=O)O3)O)(O[C@]91C(=O)O[C@H]2[C@@]1(OC[C@@H]2O)O)O
InChI=1S/C54H38O37/c55-15-1-10(2-16(56)27(15)62)43(72)89-47-39-38-36(87-48(76)50-7-23(61)52(78,91-51(50)49(77)88-41-20(60)8-82-54(41,51)80)53(79)40(50)26-12(45(74)86-39)4-19(59)30(65)37(26)90-53)22(84-47)9-81-44(73)11-3-17(57)28(63)32(67)24(11)25-13(46(75)85-38)6-21(31(66)33(25)68)83-35-14(42(70)71)5-18(58)29(64)34(35)69/h1-6,20,22,36,38-41,47,55-60,62-69,78-80H,7-9H2,(H,70,71)/t20-,22+,36+,38-,39+,40+,41+,47-,50-,51+,52+,53+,54-/m0/s1
PMGVHTALTIBNIE-GLOQPHDASA-N
CSID:10276716, http://www.chemspider.com/Chemical-Structure.10276716.html (accessed 20:09, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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