|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate , 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-4-oxanyl] ester , [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate , [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-oxidanyl-5,6-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-4-yl] 3,4,5-tris(oxidanyl)benzoate , 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2,3-digalloyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester
|
| Smiles: |
OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
|
| InChi : |
InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1
|
| InChi Key : |
InChIKey=MACFXELYCBWKGT-VFTFQOQOSA-N
|
| PubChem ID : |
5322038
|
|
|
|
| Rotatable bond count : |
10
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
18
|
Ionization potential : |
9.105598
|
| Hydrogen bond donor count : |
11
|
Electric dipole moment : |
1.953
|
| XLogP : |
2.368
|
VDW volume : |
520.008785
|
| Molecular weight : |
636.096264
|
HOMO-LUMO gap : |
7.960000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|