Hidrosmin

C₃₀H₃₆O₁₆ — CID 3087722

About Hidrosmin

Hidrosmin (PubChem CID 3087722) has the molecular formula C₃₀H₃₆O₁₆ and a molecular weight of 652.60 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: Hidrosmin
• PubChem CID: 3087722
• Molecular Formula: C₃₀H₃₆O₁₆
• Molecular Weight: 652.60 g/mol
• Exact Mass: 652.20
• IUPAC Name: 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• SMILES: COc1ccc(-c2cc(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
• InChI: InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1
• InChIKey: XYFLWVOTXWXNAM-WTNNCJBMSA-N
• XLogP: -1.42
• TPSA: 247.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	652.60
LogP ≤ 5	-1.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of Hidrosmin?

The IUPAC name of Hidrosmin (CID 3087722) is 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

What is the SMILES notation for Hidrosmin?

The canonical SMILES for Hidrosmin is COc1ccc(-c2cc(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O.

What is the InChIKey of Hidrosmin?

The InChIKey is XYFLWVOTXWXNAM-WTNNCJBMSA-N. The full InChI is InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1.

What are the key properties of Hidrosmin?

Hidrosmin has a molecular weight of 652.60 g/mol, XLogP of -1.42, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Hidrosmin is sourced from PubChem (CID 3087722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3087722 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3956 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.