Cas no 58213-36-8 (3-O-(Glucosylglucoside)-Delphinidin)
58213-36-8 structure
Product Name:3-O-(Glucosylglucoside)-Delphinidin
CAS No:58213-36-8
MF:C27H31O17
MW:627.524850130081
CID:2022114
PubChem ID:5316496
Update Time:2025-04-21
3-O-(Glucosylglucoside)-Delphinidin Chemical and Physical Properties
Names and Identifiers
-
- 3-O-(Glucosylglucoside)-Delphinidin
- delphinidin 3-gentiobioside
- Delphinidin-3-diglucoside
- Delphinidin-3-gentobiosid
- 3,3',4',5,5',7-Hexahydroxyflavylium(1+)
- 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium
- 3-O-[Glucosyl-(1->?)-glucoside]
- DTXSID001341532
- Delphinidin 3-O-glucosyl-glucoside
- Delphinidin 3-glucosylglucoside
-
- Inchi: 1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
- InChI Key: WIIMVXRNTVGXEQ-LCENJUANSA-O
- SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC1=CC2C(=CC(=CC=2[O+]=C1C1C=C(C(=C(C=1)O)O)O)O)O
Computed Properties
- Exact Mass: 627.15612452g/mol
- Monoisotopic Mass: 627.15612452g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 44
- Rotatable Bond Count: 7
- Complexity: 919
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 281?2
3-O-(Glucosylglucoside)-Delphinidin Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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