Cas no 1137673-13-2 (Triterpenoid-monoterpenoid saponins; Albizoside B)
1137673-13-2 structure
Product Name:Triterpenoid-monoterpenoid saponins; Albizoside B
CAS No:1137673-13-2
MF:C30H48O5
MW:488.699130058289
CID:6743638
Update Time:2024-03-03
Triterpenoid-monoterpenoid saponins; Albizoside B Chemical and Physical Properties
Names and Identifiers
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- 21-O-{(2E,6S)-2-hydroxymethyl-6-methyl-6-O-{4-O-(2'E,6'S)-2',6'-dimethyl-6'-O-[2'-O-(2''E,6''S)-2''-hydroxymethyl-6''-methyl-6''-O-beta-D-quinovopyranosyl-2'',7''-octadienoyl-beta-D-quinovopyranosyl]-2',7'-octadienoyl-beta-D-quinovopyranosyl}-2,7-octadienoyl}-3-O-{beta-D-xylopyranosyl-(1->2)-beta-D-fucopyranosyl-(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranosyl} acacic acid 28-O-beta-D-glucopyranosyl-(1->3)-[alpha-L-arabinofuranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl ester
- (-)-Albizoside B
- Albizoside B
- Triterpenoid-monoterpenoid saponins; Albizoside B
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- Inchi： 1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)
- InChI Key： CFKXWTNHIJAFNL-UHFFFAOYSA-N
- SMILES： CC1(C(O)CC2(C(C3C(CC2O)(C)C2(C(C4(C(CC2)C(C)(C)C(O)CC4)C)CC=3)C)C1)C(=O)O)C
Computed Properties
- Hydrogen Bond Donor Count: 32
- Hydrogen Bond Acceptor Count: 61
- Heavy Atom Count: 185
- XLogP3: -2.448
Triterpenoid-monoterpenoid saponins; Albizoside B Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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