Neogypsoside A

chemical compound

Wikidata entity: Q105167600

C₄₆H₇₀O₁₈ (P274)

Quantities

P2067mass910.4562154

P233 canonical SMILES String O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OCC(O)C(O)C3O)C2OC4OC(CO)C(O)C(O)C4O)CCC5(C)C6CC=C7C8CC(C)(C)CCC8C(=O)CC7(C)C6(C)CCC15 ???
P703 found in taxon ... Q6674187 (Gypsophila oldhamiana) Gypsophila oldhamiana
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC1(C)CC[C@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1 ???
P3364 stereoisomer of ... Q105167598 (Neogypsoside B) Neogypsoside B
P279 subclass of ... Q105167602 (6-[(4-Formyl-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid) 6-[(4-Formyl-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
External Ids
P234InChIInChI=1S/C46H70O18/c1-42(2)12-9-20-21(15-42)22-7-8-27-43(3)13-11-28(44(4,19-48)26(43)10-14-45(27,5)46(22,6)16-23(20)49)61-41-37(64-40-33(55)31(53)30(52)25(17-47)60-40)35(34(56)36(63-41)38(57)58)62-39-32(54)29(51)24(50)18-59-39/h7,19-21,24-37,39-41,47,50-56H,8-18H2,1-6H3,(H,57,58)/t20-,21-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37-,39+,40+,41-,43+,44+,45-,46-/m1/s1
P235InChIKeyMMDHCORUJWHVTJ-QFFBILDXSA-N
P662PubChem CID102385028
P11089UniChem compound ID100930727

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