Esulatin L

PubChem CID: 56669602

Connections displayed (default: 10).

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Compound Synonyms	Esulatin L, ((1R,2R,3aR,5R,6E,9R,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta(12)annulen-9-yl) pyridine-3-carboxylate, [(1R,2R,3aR,5R,6E,9R,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate, CHEMBL1812477
Topological Polar Surface Area	171.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	51.0
Isotope Atom Count	0.0
Molecular Complexity	1390.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	P08183
Iupac Name	[(1R,2R,3aR,5R,6E,9R,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
Prediction Hob	0.0
Xlogp	4.7
Molecular Formula	C38H51NO12
Prediction Swissadme	0.0
Inchi Key	GEQXZNXXYBZFOZ-BGJWXCAQSA-N
Fcsp3	0.6052631578947368
Logs	-4.191
Rotatable Bond Count	14.0
Logd	1.998
Compound Name	Esulatin L
Prediction Hob Swissadme	0.0
Exact Mass	713.341
Formal Charge	0.0
Monoisotopic Mass	713.341
Hydrogen Bond Acceptor Count	13.0
Molecular Weight	713.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	1.0
Esol	-6.358249023529412
Inchi	InChI=1S/C38H51NO12/c1-21(2)19-46-29-17-30(49-35(45)28-13-12-16-39-18-28)36(9,10)15-14-22(3)33(44)38(51-27(8)43)20-37(11,50-26(7)42)34(48-25(6)41)31(38)32(23(29)4)47-24(5)40/h12-16,18,21-22,29-32,34H,4,17,19-20H2,1-3,5-11H3/b15-14+/t22-,29-,30-,31+,32+,34-,37-,38-/m1/s1
Smiles	C[C@@H]1/C=C/C([C@@H](C[C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OCC(C)C)OC(=O)C3=CN=CC=C3)(C)C
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Dugdhik Euphorbia (Plant) Rel Props:Reference:
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14. Outgoing r'ship FOUND_IN to/from Euphorbia Cattimandoo (Plant) Rel Props:Reference:
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25. Outgoing r'ship FOUND_IN to/from Euphorbia Esula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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60. Outgoing r'ship FOUND_IN to/from Euphorbia Maddenii (Plant) Rel Props:Reference:
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63. Outgoing r'ship FOUND_IN to/from Euphorbia Micractina (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Euphorbia Nematocypha (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Euphorbia Neriifolia (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Euphorbia Nivulia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Euphorbia Officinarum (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Euphorbia Pannonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Euphorbia Paralias (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Euphorbia Pekinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Euphorbia Peplus (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Euphorbia Pilosa (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euphorbia Pilulifera (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Euphorbia Pithyusa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Euphorbia Poisonii (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Euphorbia Polygonifolia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Euphorbia Portlandica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Euphorbia Prolifera (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Euphorbia Prostrata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Euphorbia Quinquecostata (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Euphorbia Resinifera (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Euphorbia Rosea (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Euphorbia Rothiana (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Euphorbia Royleana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Euphorbia Sancta (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Euphorbia Sapinii (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Euphorbia Segetalis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Euphorbia Serpens (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Euphorbia Sieboldiana (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Euphorbia Sikkimensis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Euphorbia Splendens (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Euphorbia Stepposa (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Euphorbia Stracheyi (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Euphorbia Thomsoniana (Plant) Rel Props:Reference:
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108. Outgoing r'ship FOUND_IN to/from Euphorbia Tibetica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Euphorbia Tirucalli (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Euphorbia Tithymaloides (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Euphorbia Tortilis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Euphorbia Trigona (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Euphorbia Turczaninowii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Euphorbia Wallichii (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Euphorbia Wangii (Plant) Rel Props:Reference:

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Esulatin L

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Phytochemical Properties

Associated Connections 116

Plant Connections 116