Apigenosylide C

PubChem CID: 44232956

Connections displayed (default: 10).

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Compound Synonyms	Apigenosylide C, (5'R,9S,10R)-10-decyl-5-hydroxy-5'-methyl-2-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)spiro(10H-pyrano(2,3-f)(1,2)benzodioxine-9,3'-oxolane)-2',4,4'-trione, (5'R,9S,10R)-10-decyl-5-hydroxy-5'-methyl-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]spiro[10H-pyrano[2,3-f][1,2]benzodioxine-9,3'-oxolane]-2',4,4'-trione, CHEMBL558750, 1174167-31-7
Topological Polar Surface Area	208.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	51.0
Isotope Atom Count	0.0
Molecular Complexity	1270.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(5'R,9S,10R)-10-decyl-5-hydroxy-5'-methyl-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]spiro[10H-pyrano[2,3-f][1,2]benzodioxine-9,3'-oxolane]-2',4,4'-trione
Prediction Hob	0.0
Xlogp	6.3
Molecular Formula	C37H44O14
Prediction Swissadme	0.0
Inchi Key	ZJALRPNVJCQEOV-KSUSMGBUSA-N
Fcsp3	0.5405405405405406
Logs	-4.461
Rotatable Bond Count	13.0
Logd	3.745
Compound Name	Apigenosylide C
Prediction Hob Swissadme	0.0
Exact Mass	712.273
Formal Charge	0.0
Monoisotopic Mass	712.273
Hydrogen Bond Acceptor Count	14.0
Molecular Weight	712.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-7.091875862745102
Inchi	InChI=1S/C37H44O14/c1-3-4-5-6-7-8-9-10-11-22-28-26(50-51-37(22)34(44)19(2)46-36(37)45)17-24(40)29-23(39)16-25(48-33(28)29)20-12-14-21(15-13-20)47-35-32(43)31(42)30(41)27(18-38)49-35/h12-17,19,22,27,30-32,35,38,40-43H,3-11,18H2,1-2H3/t19-,22-,27-,30-,31+,32-,35-,37+/m1/s1
Smiles	CCCCCCCCCC[C@@H]1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)OO[C@]16C(=O)[C@H](OC6=O)C
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Machilus Glaucescens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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72. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
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80. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Apigenosylide C

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Phytochemical Properties

Associated Connections 96

Plant Connections 96