Ditrisarubicin C
AlkaPlorer ID: AK521695
Synonym: None
IUPAC Name: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2CCC(O[C@H]3C=CC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1
InChI: InChI=1S/C60H80N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-16,18,25-30,32-33,37-45,55-59,64,68-70H,12,17,19-24H2,1-11H3/t25-,26-,27-,28-,29-,30-,32-,33-,37?,38-,39-,40-,41-,42-,43-,44-,45-,55+,56+,57+,58+,59-,60+/m0/s1
InChIKey: SGOOJJACKKMDRV-NCSOINJOSA-N
Reference
New antitumor antibiotics, ditrisarubicins A, B and C.
PubChem CID: 160288
CAS: 87385-18-0
LOTUS: LTS0019533
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces cyaneus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1165.2929999999997
TPSA？: 275.67
MolLogP？: 4.911400000000008
Number of H-Donors: 4
Number of H-Acceptors: 23
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|