Yemuoside YM(10)
PubChem CID: 195123
Connections displayed (default: 10).
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| Compound Synonyms | Yemuoside YM10, Yemuoside YM(10), 114902-16-8, CHEMBL3890430, Ciwujianoside-B, yemuoside YM, 28-O-Rhamnopyranosyl-(1-4)-glucopyranosyl-(1-6)-glucopyranosyl 3-O-rhamnosyl-(1-2)-arabinopyranosyl-30-norolean-12,20(29)-dien-28-oic acid, 30-Noroleana-12,20(29)-dien-28-oic acid, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-, SCHEMBL17187835, HY-N0307, BDBM50253018, AKOS040753101, MS-32037, Ciwujianoside B, Acanthopanax senticosides B, CS-0008805 |
|---|---|
| Topological Polar Surface Area | 393.0 |
| Hydrogen Bond Donor Count | 14.0 |
| Heavy Atom Count | 83.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 32.0 |
| Uniprot Id | P47989 |
| Iupac Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Prediction Hob | 0.0 |
| Target Id | NPT967 |
| Xlogp | -2.0 |
| Molecular Formula | C58H92O25 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UPROOJBJZLZCGS-CHTHVDMYSA-N |
| Fcsp3 | 0.913793103448276 |
| Logs | -3.182 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.505 |
| Compound Name | Yemuoside YM(10) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 1188.59 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1188.59 |
| Hydrogen Bond Acceptor Count | 25.0 |
| Molecular Weight | 1189.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 32.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.089663800000006 |
| Inchi | InChI=1S/C58H92O25/c1-23-11-16-58(53(73)83-51-44(71)40(67)37(64)30(79-51)22-75-48-45(72)41(68)46(29(20-59)78-48)81-49-42(69)38(65)34(61)24(2)76-49)18-17-56(7)26(27(58)19-23)9-10-32-55(6)14-13-33(54(4,5)31(55)12-15-57(32,56)8)80-52-47(36(63)28(60)21-74-52)82-50-43(70)39(66)35(62)25(3)77-50/h9,24-25,27-52,59-72H,1,10-22H2,2-8H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56+,57+,58-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)O)O)O)CO)O)O)O |
| Nring | 10.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all