tanguticuline D
AlkaPlorer ID: AK010858
Synonym: None
IUPAC Name: None
Structure
SMILES: [H]/C([H])=C1C([H])([H])[C@@]2([C@@]3(O)[C@]([H])(OS(=O)(O)=O)C\1([H])[C@@]4(O)[H])C4[C@]5([H])[C@]63[C@@]7(C)[C@@](C([H])N5[C@@]7([H])C2([H])[H])(C)C([H])([H])[C@]([H])(OC(C8=CC=CC=C8)=O)C6([H])[H]
InChI: InChI=1S/C28H33NO8S/c1-14-9-26-12-17-25(3)24(2)10-16(36-23(31)15-7-5-4-6-8-15)11-27(25)21(29(17)13-24)19(26)20(30)18(14)22(28(26,27)32)37-38(33,34)35/h4-8,16-22,30,32H,1,9-13H2,2-3H3,(H,33,34,35)/t16-,17-,18?,19?,20-,21+,22+,24-,25+,26-,27-,28-/m0/s1
InChIKey: VBSREOSVVOVRDN-VFPYYEBPSA-N
Reference
Diterpenoid alkaloids from the whole plant of Aconitum tanguticum (Maxim.) Stapf
data_source: manually
Source
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Properties Information
Molecule Weight: 543.6380000000004
TPSA？: 133.60000000000002
MolLogP？: 1.9608000000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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