Name |
Centellasaponin D |
Formula |
C48H78O19 |
Mw |
958.51373031 |
CAS RN |
386223-77-4 |
C_ID |
C00032807
,
|
InChIKey |
ZYPUEOGJHLWGGM-FQQIPWHUNA-N |
InChICode |
InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-27-44(4)12-11-28(52)45(5,19-50)39(44)24(51)16-47(27,46)7)43(61)67-42-36(59)33(56)31(54)26(65-42)18-62-40-37(60)34(57)38(25(17-49)64-40)66-41-35(58)32(55)30(53)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,44-,45-,46-,47-,48+/m1/s1 |
SMILES |
C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](C[C@H]2O)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)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)C)(CO)C)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Araliaceae | Centella asiatica (L.) URBAN | Ref. |
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Organism | Centella asiatica (L.) URBAN | Reference | Matsuda,Chem.Pharm.Bull.,49,(2001),1368 |
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