7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol

C48H30O31 — CID 163518865

About 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol

7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (PubChem CID 163518865) has the molecular formula C48H30O31 and a molecular weight of 1102.74 g/mol. Its IUPAC name is 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.

Molecular Properties

• Compound Name: 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
• PubChem CID: 163518865
• Molecular Formula: C48H30O31
• Molecular Weight: 1102.74 g/mol
• Exact Mass: 1102.08
• IUPAC Name: 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
• SMILES: Oc1c(O)c(O)c(-c2c(O)c(O)c(-c3c(O)c(O)c(O)c(O)c3-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c(O)c5oc6c7c(O)c(O)c(O)c(O)c7c(O)c(O)c6c45)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(O)c1O
• InChI: InChI=1S/C48H30O31/c49-17-3-1(7-9(23(55)39(71)38(70)21(7)53)11-24(56)26(58)12(27(59)25(11)57)13-29(61)41(73)45(77)42(74)30(13)62)4-6(20(52)37(69)35(67)18(4)50)2(5(3)19(51)36(68)34(17)66)8-10-15-32(64)28(60)14-16(33(65)43(75)40(72)31(14)63)47(15)79-48(10)46(78)44(76)22(8)54/h49-78H
• InChIKey: DJBJVISCMHUOJG-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 620.04 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 31
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1102.74
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?

The IUPAC name of 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (CID 163518865) is 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.

What is the SMILES notation for 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?

The canonical SMILES for 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is Oc1c(O)c(O)c(-c2c(O)c(O)c(-c3c(O)c(O)c(O)c(O)c3-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c(O)c5oc6c7c(O)c(O)c(O)c(O)c7c(O)c(O)c6c45)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(O)c1O.

What is the InChIKey of 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?

The InChIKey is DJBJVISCMHUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O31/c49-17-3-1(7-9(23(55)39(71)38(70)21(7)53)11-24(56)26(58)12(27(59)25(11)57)13-29(61)41(73)45(77)42(74)30(13)62)4-6(20(52)37(69)35(67)18(4)50)2(5(3)19(51)36(68)34(17)66)8-10-15-32(64)28(60)14-16(33(65)43(75)40(72)31(14)63)47(15)79-48(10)46(78)44(76)22(8)54/h49-78H.

What are the key properties of 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?

7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol has a molecular weight of 1102.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 30 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is sourced from PubChem (CID 163518865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).