Cas no 94696-62-5 (melongoside K)
melongoside K structure
Product Name:melongoside K
CAS No:94696-62-5
MF:C51H82O22
MW:1047.18359899521
CID:1995679
PubChem ID:131752992
Update Time:2025-04-21
melongoside K Chemical and Physical Properties
Names and Identifiers
-
- melongoside K
- 2-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
- 94696-62-5
- CHEBI:191453
- beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[O-beta-D-galactopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->2)]-
- DTXSID401101025
- beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-(O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2))-
- I(2)-D-Glucopyranoside, (3I(2),25R)-spirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a3)-O-[O-I(2)-D-galactopyranosyl-(1a4)-I(2)-D-glucopyranosyl-(1a2)]-
- beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)]-
-
- Inchi: 1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(43(35(57)30(17-53)68-48)71-45-39(61)36(58)33(55)22(3)65-45)72-47-41(63)38(60)42(31(18-54)69-47)70-46-40(62)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3
- InChI Key: AENUWGNJANYUDQ-UHFFFAOYSA-N
- SMILES: O1C2(CCC(C)CO2)C(C)C2C1CC1C3CC=C4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)O)OC1C(C(C(C(C)O1)O)O)O)OC1C(C(C(C(CO)O1)OC1C(C(C(C(CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 1046.52977424g/mol
- Monoisotopic Mass: 1046.52977424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 73
- Rotatable Bond Count: 11
- Complexity: 1940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 31
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 335?2
melongoside K Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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