(-)-Isolariciresinol 9'-O-glucoside

PubChem CID: 44560003

Connections displayed (default: 10).

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Compound Synonyms	(-)-Isolariciresinol 9'-O-glucoside, 143236-04-8, (2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, [(1R,2S,3S)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2-naphthalenyl]methyl, CHEMBL459617, DTXSID901255152, AKOS040761895, FS-6897, CS-0149314, (-)-Isolariciresinol 3I+/--O-I(2)-D-glucopyranoside
Topological Polar Surface Area	179.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	37.0
Isotope Atom Count	0.0
Molecular Complexity	712.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	n.a.
Iupac Name	(2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob	0.0
Xlogp	0.5
Molecular Formula	C26H34O11
Prediction Swissadme	0.0
Inchi Key	AHYOMNWKYGMYMB-PBJGOBETSA-N
Fcsp3	0.5384615384615384
Logs	-2.364
Rotatable Bond Count	8.0
Logd	0.783
Compound Name	(-)-Isolariciresinol 9'-O-glucoside
Prediction Hob Swissadme	0.0
Exact Mass	522.21
Formal Charge	0.0
Monoisotopic Mass	522.21
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	522.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-3.0752914000000016
Inchi	InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m1/s1
Smiles	COC1=C(C=C2[C@H]([C@@H]([C@H](CC2=C1)CO)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Bauhinia Acuminata (Plant) Rel Props:Reference:
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55. Outgoing r'ship FOUND_IN to/from Eucalyptus Jensenii (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Eucalyptus Macarthurii (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Eucalyptus Macrocarpa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Eucalyptus Macrorhyncha (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Eucalyptus Maideni (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Eucalyptus Melanophloia (Plant) Rel Props:Reference:
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68. Outgoing r'ship FOUND_IN to/from Eucalyptus Michaeliana (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Eucalyptus Microtheca (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Eucalyptus Moluccana (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Eucalyptus Obliqua (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Eucalyptus Ovata (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Eucalyptus Perriniana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Eucalyptus Phellandra (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Eucalyptus Platypus (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Eucalyptus Polyanthemos (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Eucalyptus Populnea (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Eucalyptus Pulverulenta (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Eucalyptus Radiata (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Eucalyptus Regnans (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Eucalyptus Resinifera (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Eucalyptus Risdonii (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Eucalyptus Robusta (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Eucalyptus Rubida (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Eucalyptus Rudis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Eucalyptus Saligna (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Eucalyptus Sieberi (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Eucalyptus Sieberiana (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Eucalyptus Smithii (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Eucalyptus Staigeriana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Eucalyptus Tereticornis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Eucalyptus Urnigera (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Eucalyptus Urophylla (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Eucalyptus Viminalis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Eucalyptus Viridis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Eucalyptus Wandoo (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Eucalyptus Youmanii (Plant) Rel Props:Reference:

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(-)-Isolariciresinol 9'-O-glucoside

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Phytochemical Properties

Associated Connections 99

Plant Connections 99