Periplocoside F
PubChem CID: 148048
Connections displayed (default: 10).
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| Compound Synonyms | Periplocoside F, 119902-17-9, UEA90217 |
|---|---|
| Topological Polar Surface Area | 256.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 86.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[6-[6-[6-[7-[1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C63H104O23 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLEJLRLCWJHVHW-UHFFFAOYSA-N |
| Fcsp3 | 0.9682539682539684 |
| Logs | -5.103 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.781 |
| Compound Name | Periplocoside F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 1228.7 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1228.7 |
| Hydrogen Bond Acceptor Count | 23.0 |
| Molecular Weight | 1229.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 33.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.989912399999998 |
| Inchi | InChI=1S/C63H104O23/c1-30-51(65)58(72-14)52(66)59(78-30)83-55-33(4)76-49(26-44(55)70-12)81-53-31(2)74-48(24-42(53)68-10)80-54-32(3)75-50(25-43(54)69-11)82-56-35(6)84-62(28-46(56)71-13)29-73-45-27-47(77-34(5)57(45)85-86-62)79-36(7)63(67)22-19-41-39-16-15-37-23-38(64)17-20-60(37,8)40(39)18-21-61(41,63)9/h15,30-36,38-59,64-67H,16-29H2,1-14H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5C(OC6(CC5OC)COC7CC(OC(C7OO6)C)OC(C)C8(CCC9C8(CCC1C9CC=C2C1(CCC(C2)O)C)C)O)C)C)C)C)O)OC)O |
| Nring | 11.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Periploca Sepium (Plant) Rel Props:Source_db:cmaup_ingredients