Cas no 105239-70-1 (b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI))
105239-70-1 structure
Product Name:b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI)
CAS No:105239-70-1
MF:C47H80O18
MW:933.127317428589
CID:187267
PubChem ID:154812429
Update Time:2025-04-19
b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI)
- Dammarane,b-D-glucopyranoside deriv.
- GypenosideLVII
- 105239-70-1
- Gypenoside LVII
- AKOS040736397
-
- Inchi： 1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(63-42)20-61-40-36(57)31(52)25(51)19-60-40)22-11-14-46(7)30(22)23(49)16-29-44(5)17-24(50)39(43(3,4)28(44)12-15-45(29,46)6)64-41-37(58)34(55)32(53)26(18-48)62-41/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27+,28?,29?,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-,44-,45+,46+,47-/m0/s1
- InChI Key： GELOPBLVWSJPGZ-CHNMBZPZSA-N
- SMILES： O[C@@H]1CC2[C@@]3(C)C[C@H]([C@@H](C(C)(C)C3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(CC/C=C(\C)/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O)[C@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 932.53446570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 65
- Rotatable Bond Count: 12
- Complexity: 1670
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 23
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 298?2
Experimental Properties
- PSA: 52.54
b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI) Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
105239-70-1 (b-D-Glucopyranoside, (2a,3b,12b)-3-(b-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl6-O-b-D-xylopyranosyl- (9CI)) Related Products
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