CID 58443760

C41H49O10 — CID 58443760

IUPAC—

SMILESCOc1ccc([C@@H](O)[C@@H](C)Oc2ccc(C3OC(c4ccc(O[C@H](C)[C@H](O)c5ccc(OC)c(OC)c5)c(OC)c4)[CH][C@H]3C)cc2OC)cc1C

InChIInChI=1S/C41H49O10/c1-23-18-28(11-14-31(23)44-5)39(42)25(3)49-34-17-13-30(22-38(34)48-9)41-24(2)19-35(51-41)27-10-16-33(37(20-27)47-8)50-26(4)40(43)29-12-15-32(45-6)36(21-29)46-7/h10-22,24-26,35,39-43H,1-9H3/t24-,25-,26-,35?,39+,40+,41?/m1/s1

InChIKeyNJWIIRSKSGOPNT-ZAMRUJDHSA-N

MW701.83 g/mol

LogP7.69

Rot. Bonds15

About CID 58443760

CID 58443760 (PubChem CID 58443760) has the molecular formula C41H49O10 and a molecular weight of 701.83 g/mol.

Molecular Properties

Compound Name	CID 58443760
PubChem CID	58443760
Molecular Formula	C41H49O10
Molecular Weight	701.83 g/mol
Exact Mass	701.33
IUPAC Name	—
SMILES	COc1ccc([C@@H](O)[C@@H](C)Oc2ccc(C3OC(c4ccc(O[C@H](C)[C@H](O)c5ccc(OC)c(OC)c5)c(OC)c4)[CH][C@H]3C)cc2OC)cc1C
InChI	InChI=1S/C41H49O10/c1-23-18-28(11-14-31(23)44-5)39(42)25(3)49-34-17-13-30(22-38(34)48-9)41-24(2)19-35(51-41)27-10-16-33(37(20-27)47-8)50-26(4)40(43)29-12-15-32(45-6)36(21-29)46-7/h10-22,24-26,35,39-43H,1-9H3/t24-,25-,26-,35?,39+,40+,41?/m1/s1
InChIKey	NJWIIRSKSGOPNT-ZAMRUJDHSA-N
XLogP	7.69
TPSA	114.30 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	15
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 58443760?

The IUPAC name of CID 58443760 (CID 58443760) is not available.

What is the SMILES notation for CID 58443760?

The canonical SMILES for CID 58443760 is COc1ccc([C@@H](O)[C@@H](C)Oc2ccc(C3OC(c4ccc(O[C@H](C)[C@H](O)c5ccc(OC)c(OC)c5)c(OC)c4)[CH][C@H]3C)cc2OC)cc1C.

What is the InChIKey of CID 58443760?

The InChIKey is NJWIIRSKSGOPNT-ZAMRUJDHSA-N. The full InChI is InChI=1S/C41H49O10/c1-23-18-28(11-14-31(23)44-5)39(42)25(3)49-34-17-13-30(22-38(34)48-9)41-24(2)19-35(51-41)27-10-16-33(37(20-27)47-8)50-26(4)40(43)29-12-15-32(45-6)36(21-29)46-7/h10-22,24-26,35,39-43H,1-9H3/t24-,25-,26-,35?,39+,40+,41?/m1/s1.

What are the key properties of CID 58443760?

CID 58443760 has a molecular weight of 701.83 g/mol, XLogP of 7.69, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58443760 is sourced from PubChem (CID 58443760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).