Ingredients

Leonticine

C65H106O31

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Leonticine
Molecular Formula: C65H106O31
Molecular Weight: No data
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)CO)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
InChI: InChI=1S/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(22-68)90-53(49(83)44(51)78)86-24-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(2,3)19-27(65)26-9-10-34-62(6)13-12-35(61(4,5)33(62)11-14-64(34,8)63(26,7)16-18-65)92-58-52(95-56-47(81)42(76)38(72)30(21-67)89-56)50(28(69)23-85-58)93-55-46(80)41(75)37(71)29(20-66)88-55/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,27-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1
Oral Bioavailability: 45.790
Drug Likeness: 0.039
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data