Balanophotannin D

PubChem CID: 24862008

Connections displayed (default: 10).

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Compound Synonyms	BALANOPHOTANNIN D, ((2R,3S,4S,5R,6S)-6-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta(c)isochromene-1-carboxylate, [(2R,3S,4S,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate, CHEMBL506571, DTXSID201030351, Q15720547
Topological Polar Surface Area	267.0
Hydrogen Bond Donor Count	8.0
Heavy Atom Count	44.0
Isotope Atom Count	0.0
Molecular Complexity	1210.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	[(2R,3S,4S,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
Prediction Hob	0.0
Xlogp	-0.8
Molecular Formula	C28H24O16
Prediction Swissadme	0.0
Inchi Key	URJGURKNABRVCH-ATYMIDRYSA-N
Fcsp3	0.2857142857142857
Logs	-4.765
Rotatable Bond Count	8.0
Logd	0.269
Compound Name	Balanophotannin D
Prediction Hob Swissadme	0.0
Exact Mass	616.106
Formal Charge	0.0
Monoisotopic Mass	616.106
Hydrogen Bond Acceptor Count	16.0
Molecular Weight	616.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	1.0
Esol	-2.5779917090909104
Inchi	InChI=1S/C28H24O16/c29-12-3-1-9(5-13(12)30)2-4-17(33)43-28-24(38)23(37)21(35)16(42-28)8-41-26(39)11-7-15(32)25-19(11)18-10(27(40)44-25)6-14(31)20(34)22(18)36/h1-6,11,16,21,23-24,28-31,34-38H,7-8H2/b4-2+/t11-,16+,21+,23-,24+,28-/m0/s1
Smiles	C1[C@@H](C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Nring	5.0
Defined Bond Stereocenter Count	1.0

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3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
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12. Outgoing r'ship FOUND_IN to/from Balanophora Fungosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Balanophora Harlandii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Balanophora Indica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Balanophora Involucrata (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Balanophora Laxiflora (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Balanophora Occidentals (Plant) Rel Props:Reference:
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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:
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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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Balanophotannin D

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Phytochemical Properties

Associated Connections 96

Plant Connections 96