RISTOCETIN-PSI-AGLYCONE

73412-13-2

MFCD01684600

C66 H62 N8 O21

1303.25

InChI=1S/C66H62N8O21/c1-25-41(78)17-31-19-43(25)94-44-18-29(8-15-40(44)77)49(68)60(83)73-54-57(81)27-4-10-34(11-5-27)92-45-20-32-21-46(58(45)82)93-35-12-6-28(7-13-35)59(95-47-24-38(67)56(80)26(2)91-47)55-65(88)72-53(66(89)90-3)37-22-33(75)23-42(79)48(37)36-16-30(9-14-39(36)76)50(61(84)74-55)69-63(86)52(32)70-62(85)51(31)71-64(54)87/h4-23,26,38,47,49-57,59,75-82H,24,67-68H2,1-3H3,(H,69,86)(H,70,85)(H,71,87)(H,72,88)(H,73,83)(H,74,84)/t26-,38-,47+,49-,50-,51+,52-,53?,54-,55+,56+,57-,59-/m1/s1

InChIKey=QNLJJDWHVHYPKQ-BWUPYVPHSA-N

Cc1c(cc2cc1Oc3cc(ccc3O)[C@H](C(=O)N[C@@H]4[C@@H](c5ccc(cc5)Oc6cc7cc(c6O)Oc8ccc(cc8)[C@H]([C@H]9C(=O)NC(c1cc(cc(c1-c1cc(ccc1O)[C@H](C(=O)N9)NC(=O)[C@@H]7NC(=O)[C@H]2NC4=O)O)O)C(=O)OC)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)N)O)N)O

H bond donor:16

H bond acceptor:29

XLogP3:0.0

Bulk/Fine:F