Cas no 152464-75-0 (Hupehensis saponin D)
Hupehensis saponin D structure
Product Name:Hupehensis saponin D
CAS No:152464-75-0
MF:C70H114O34
MW:1499.63378667831
CID:172929
PubChem ID:192586
Update Time:2024-02-28
Hupehensis saponin D Chemical and Physical Properties
Names and Identifiers
-
- 2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®
- 3)-O-6-deoxy-a-L-mannopyranosyl-(1®
- 3)-O-b-D-ribopyranosyl-(1®
- 3-O-Glucopyranosyl-1-3-ribopyranosyl-1-3-rhamnopyranosyl-1-2arabinopyranosyloleanolic acid 28-O-rhamnopyranosyl-1-4-glucosypyranosyl-1-6-glucopyranoside
- 4)-O-b-D-glucopyranosyl-(1®
- 6)-b-D-glucopyranosyl ester, (3b)- (9CI)
- 6-deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[hexopyranosyl-(1->3)pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose
- Hupehensis saponin D
- Saponin D, hupehensis
- 152464-75-0
-
- Inchi： 1S/C70H114O34/c1-26-38(75)43(80)47(84)59(94-26)101-54-33(22-72)97-57(50(87)46(54)83)93-25-34-42(79)45(82)49(86)61(98-34)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)99-63-56(40(77)30(73)23-92-63)103-62-52(89)55(39(76)27(2)95-62)102-58-51(88)53(31(74)24-91-58)100-60-48(85)44(81)41(78)32(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3
- InChI Key： ZOOKJZBDACIZLI-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(CO1)O)O)OC1C(C(C(C(C)O1)O)OC1C(C(C(CO1)O)OC1C(C(C(C(CO)O1)O)O)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)OC6C(C(C(C(COC7C(C(C(C(CO)O7)OC7C(C(C(C(C)O7)O)O)O)O)O)O6)O)O)O)CCC(C)(C)CC5C4=CCC32)C1(C)C
Computed Properties
- Exact Mass: 1498.719
- Monoisotopic Mass: 1498.719
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 19
- Hydrogen Bond Acceptor Count: 34
- Heavy Atom Count: 104
- Rotatable Bond Count: 18
- Complexity: 2950
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 41
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 531
- XLogP3: -3.9
Experimental Properties
- Density: 1.53
- Refractive Index: 1.647
Hupehensis saponin D Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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