| Name |
Pastuchoside A
(-)-Pastuchoside A (C71 saponin) |
| Formula |
C71H116O35 |
| Mw |
1528.72971548 |
| CAS RN |
848909-30-8 |
| C_ID |
C00032110
, 
|
| InChIKey |
KYZZRGGXCALBDR-TVUCWKRONA-N |
| InChICode |
InChI=1S/C71H116O35/c1-26-38(75)43(80)49(86)59(95-26)103-55-31(21-72)98-58(53(90)47(55)84)93-23-33-41(78)46(83)52(89)63(100-33)106-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)102-64-57(105-61-51(88)45(82)40(77)28(3)97-61)42(79)34(24-94-64)101-62-54(91)48(85)56(32(22-73)99-62)104-60-50(87)44(81)39(76)27(2)96-60/h10,26-28,30-64,72-91H,11-25H2,1-9H3/t26-,27-,28-,30-,31+,32+,33+,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62+,63-,64-,67-,68-,69+,70+,71-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Hedera pastuchowii | Ref. |
|
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