What is the molecular formula of 6-[(3,4-Dihydroxyphenyl)methyl]-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo[A]xanthen-9-one?
The molecular formula is C33H26O10.
What is the molecular weight of the compound?
The molecular weight is 582.6 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxybenzo[a]xanthen-2-one.
What is the InChI of the compound?
The InChI is InChI=1S/C33H26O10/c1-40-27-12-17(34)5-6-18(27)29-19-13-28(41-2)31(39)33(42-3)30(19)21-10-16-11-24(37)25(38)14-26(16)43-32(21)20(29)8-15-4-7-22(35)23(36)9-15/h4-7,9-14,34-38H,8H2,1-3H3.
What is the CAS number of the compound?
The CAS number is 38185-48-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.7.
How many hydrogen bond donor counts does the compound have?
The compound has 5 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 10 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 155 ?2.
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