| 2D Structure | |
| CID | 155978609 |
| IUPAC Name | (3S,9R,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
| InChI | InChI=1S/C54H90O23/c1-22(10-14-31(57)51(5,6)77-48-44(69)40(65)37(62)29(74-48)21-70-46-42(67)39(64)35(60)27(19-55)72-46)24-16-17-52(7)30-13-11-25-26(54(30,9)32(58)18-53(24,52)8)12-15-33(50(25,3)4)75-49-45(41(66)36(61)28(20-56)73-49)76-47-43(68)38(63)34(59)23(2)71-47/h11,22-24,26-31,33-49,55-57,59-69H,10,12-21H2,1-9H3/t22-,23+,24-,26-,27-,28-,29-,30?,31-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1 |
| InChI Key | GDJOCHKMJOSUGR-USRQNTHISA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C54H90O23 |
| Molecular Weight | 1107.3 |
| synonyms | ['Bryonoside', '83725-21-7', 'orb1992462', 'AKOS040734267'] |
From Pubchem