3-Hydroxy-30-norlanosta-8(14),24-diene-15,23-dione; 3β-form, 3-O-[β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-xylopyranoside]
AlkaPlorer ID: AK301663
Synonym: Sarasinoside A5
IUPAC Name: N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-15-oxo-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Structure
SMILES: CC(=O)NC1C(OC2COC(OC3CCC4(C)C5CCC6(C)C(=C5CCC4C3(C)C)C(=O)CC6C(C)CC(=O)C=C(C)C)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C2O)OC(CO)C(O)C1O
InChI: InChI=1S/C62H98N2O27/c1-24(2)16-28(70)17-25(3)31-18-32(71)40-29-10-11-38-60(6,7)39(13-15-61(38,8)30(29)12-14-62(31,40)9)89-59-53(47(76)37(23-83-59)88-55-41(63-26(4)68)48(77)43(72)33(19-65)84-55)90-56-42(64-27(5)69)49(78)46(75)36(87-56)22-82-58-54(51(80)45(74)35(21-67)86-58)91-57-52(81)50(79)44(73)34(20-66)85-57/h16,25,30-31,33-39,41-59,65-67,72-81H,10-15,17-23H2,1-9H3,(H,63,68)(H,64,69)
InChIKey: GRTDLQGYMRWBAZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melophlus sarasinorum | Melophlus | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1303.453000000001
TPSA？: 447.63000000000005
MolLogP？: -3.505300000000004
Number of H-Donors: 15
Number of H-Acceptors: 27
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|