novaeguinoside D

AlkaPlorer ID: AK163144

Synonym: None

IUPAC Name: None

Structure

SMILES: CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4C[C@@H]5C(=CC[C@]6(C)[C@@H]([C@H](C)/C=C/[C@@H](C)[C@@H](C)C([O-])=NCCS(=O)(=O)[O-])CC[C@@H]56)[C@@]5(C)CC[C@H](OS(=O)(=O)O)C[C@H]45)O[C@H](CO)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O

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InChI: InChI=1S/C48H79NO22S2/c1-22(24(3)43(57)49-16-17-72(58,59)60)8-9-23(2)28-10-11-29-27-19-33(31-18-26(71-73(61,62)63)12-14-48(31,6)30(27)13-15-47(28,29)5)67-45-39(56)41(37(54)34(20-50)68-45)69-46-42(36(53)32(51)21-65-46)70-44-38(55)40(64-7)35(52)25(4)66-44/h8-9,13,22-29,31-42,44-46,50-56H,10-12,14-21H2,1-7H3,(H,49,57)(H,58,59,60)(H,61,62,63)/p-2/b9-8+/t22-,23-,24-,25-,26+,27+,28-,29+,31-,32-,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,44+,45-,46+,47-,48-/m1/s1

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InChIKey: VWDVLSKASOBZHR-YKJWZTNFSA-L

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Reference

Source

Species Genus Family Order Class Phylum Kingdom Domain
Culcita novaeguineae Culcita Oreasteridae Valvatida Asteroidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 1084.263

TPSA: 362.44000000000005

MolLogP: -0.7138999999999867

Number of H-Donors: 8

Number of H-Acceptors: 22

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information