[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
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[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
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CAS No:
81720-07-2
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Formula:
C21H34O14
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Chemical Name:
[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
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Synonyms:
Rehmannioside C;HY-N2400;ZINC299817641;CS-0022602
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CAS No:
[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside Basic Attributes
510.486
510.194855
Computed Properties
Molecular Weight:510.5
XLogP3:-3.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:510.19485575
Monoisotopic Mass:510.19485575
Topological Polar Surface Area:228
Heavy Atom Count:35
Complexity:754
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CN
5 YRS
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[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
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