Tellimagradin I
[(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C34H26O22 |
|---|---|
| Molecular Weight | 786.6 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 385.0 A2 |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 786.09155 |
| Heavy Atoms | 56 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 79786-08-6 |
|---|---|
| SMILES | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| InChIKey | XUZYVFYOPRXTRB-GBJTXXJHSA-N |
📖 Product Overview
Tellimagradin I (CAS: 79786-08-6) is a chemical compound with molecular formula C34H26O22 and molecular weight 786.6 g/mol. Its IUPAC systematic name is [(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate.
XUZYVFYOPRXTRB-GBJTXXJHSA-N.
SMILES: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O.
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