novaeguinoside d
AlkaPlorer ID: AK553378
Synonym: None
IUPAC Name: 2-[[(E,2R,3R,6R)-6-[(3S,6S,8S,10S,13R,14S,17R)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-4-enoyl]amino]ethanesulfonic acid
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)CC45)O[C@H](CO)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O
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)/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
InChIKey: VWDVLSKASOBZHR-ZAKOOMRCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Culcita novaeguineae | Culcita | Oreasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1086.2790000000002
TPSA？: 356.7800000000001
MolLogP？: 0.8264000000000111
Number of H-Donors: 10
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|