Terflavin B
PubChem CID: 44584734
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | terflavin B, ((2R,3S,4R,5R)-4,5,6-trihydroxy-2-((3,4,5-trihydroxybenzoyl)oxymethyl)oxan-3-yl) 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate, [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate, CHEMBL507965, Q7702348 |
|---|---|
| Topological Polar Surface Area | 377.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Inchi Key | UKIPVDAOZKIZJT-RPMOVZCCSA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 56.0 |
| Compound Name | Terflavin B |
| Exact Mass | 784.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 784.076 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1500.0 |
| Hydrogen Bond Acceptor Count | 22.0 |
| Molecular Weight | 784.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C34H24O22/c35-9-1-6(2-10(36)19(9)39)30(47)52-5-13-27(25(45)26(46)34(51)53-13)54-31(48)7-3-11(37)20(40)22(42)14(7)16-18-17-15-8(32(49)55-29(17)24(44)23(16)43)4-12(38)21(41)28(15)56-33(18)50/h1-4,13,25-27,34-46,51H,5H2/t13-,25-,26-,27-,34?/m1/s1 |
| Smiles | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C6C(=CC(=C7O)O)C(=O)O5)O)O)O)O)O |
| Xlogp | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C34H24O22 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Alata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Terminalia Arjuna (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Terminalia Bellerica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Terminalia Bellirica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Terminalia Bialata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Terminalia Brachystemma (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Terminalia Calamansanay (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Terminalia Catappa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Terminalia Citrina (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Terminalia Coriacea (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Terminalia Crenulata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Terminalia Elliptica (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Terminalia Macroptera (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Terminalia Myriocarpa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Terminalia Pallida (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Terminalia Paniculata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Terminalia Procera (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Terminalia Tomentosa (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Terminalia Travancorensis (Plant) Rel Props:Reference: