methyl (2RS,4aRS,6aRS,6bSR,12aRS)-10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6 a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
Chemical Structure Depiction of
methyl (2RS,4aRS,6aRS,6bSR,12aRS)-10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6 a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
methyl (2RS,4aRS,6aRS,6bSR,12aRS)-10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6 a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
Compound characteristics
| Compound ID: | N016-0045 |
| Compound Name: | methyl (2RS,4aRS,6aRS,6bSR,12aRS)-10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6 a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate |
| Molecular Weight: | 865.03 |
| Molecular Formula: | C43 H68 N4 O14 |
| Smiles: | C[C@@]1(C)C2CC[C@]3(C)C(C(C=C4C5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)OC)=O)[C@@]2(C)CCC1OC1C(C(C(C(C(NN)=O)O1)O)O)OC1C(C(C(C(C(NN)=O)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6576 |
| logD: | 0.6576 |
| logSw: | -1.693 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 11 |
| Polar surface area: | 240.695 |
| InChI Key: | PQBITFIHFKWRFS-CFEQAHMKSA-N |