|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(2S,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-11-oxidanyl-10-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-11-hydroxy-2,6a,6b,9,12a-pentamethyl-2,9-dimethylol-10-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
| Smiles: |
OC[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
|
| InChi : |
InChI=1S/C35H56O10/c1-30(17-36)10-12-35(29(42)43)13-11-33(4)19(20(35)14-30)6-7-24-31(2)15-21(38)27(45-28-26(41)25(40)22(39)16-44-28)32(3,18-37)23(31)8-9-34(24,33)5/h6,20-28,36-41H,7-18H2,1-5H3,(H,42,43)/t20-,21+,22+,23+,24+,25-,26+,27+,28-,30-,31-,32-,33+,34+,35-/m0/s1
|
| InChi Key : |
InChIKey=ZQWQGXAPWCGEIW-PBPCEUQESA-N
|
| PubChem ID : |
25155535
|
|
|
|
| Rotatable bond count : |
5
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
10
|
Ionization potential : |
9.162673
|
| Hydrogen bond donor count : |
7
|
Electric dipole moment : |
4.952
|
| XLogP : |
3.627
|
VDW volume : |
622.406518
|
| Molecular weight : |
636.387348
|
HOMO-LUMO gap : |
10.223000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|