(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol

PubChem CID: 44559499

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL505676
Topological Polar Surface Area	177.0
Hydrogen Bond Donor Count	6.0
Inchi Key	XASDQEOMZDFLDT-QGYWBVHWSA-N
Rotatable Bond Count	4.0
Heavy Atom Count	51.0
Compound Name	(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Exact Mass	724.44
Formal Charge	0.0
Monoisotopic Mass	724.44
Isotope Atom Count	0.0
Molecular Complexity	1270.0
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	724.9
Database Name	npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	23.0
Iupac Name	(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Total Atom Stereocenter Count	23.0
Total Bond Stereocenter Count	0.0
Inchi	InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38+,39-/m1/s1
Smiles	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)O)O)O)O)C)C)OC1
Xlogp	3.0
Defined Bond Stereocenter Count	0.0
Molecular Formula	C39H64O12

1. Outgoing r'ship FOUND_IN to/from Acanthospermum Hispidum (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
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52. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Solanum Pseudocapsicum (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Solanum Sisymbrifolium (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Solanum Sodomaeum (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Solanum Virginiatum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:

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(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Graph

Phytochemical Properties

Associated Connections 84

Plant Connections 84