IV A
AlkaPlorer ID: AK042532
Synonym: None
IUPAC Name: (9R)-7-[(4S)-4-(dimethylamino)-5-[(4S)-4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)CC(OC2C[C@H](N(C)C)C(OC3C[C@H](O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)C1O
InChI: InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17?,18?,19?,23-,26-,27?,28?,29?,30?,37?,38?,39?,40+/m0/s1
InChIKey: OQDCVONZQOVIMP-SRINCSFOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces purpurascens | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 769.8410000000002
TPSA？: 210.98
MolLogP？: 2.934500000000003
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|