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3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside

HCID 430459
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Basic information

CAS
66678-33-9
Standard SMILES
COCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O
InChIKey
KHXUHAHJGPAIOL-UHFFFAOYSA-N
Molecular formula
C28H31NO11
Average molar mass
557.5 g/mol
Monoisotopic mass
557.1897108

Names & identifiers

Preferred name
3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside
IUPAC
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

Names & synonyms

66678-33-9NSC 2756473,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranosideNSC275647Neuro_000140SCHEMBL208011185,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(methoxyacetyl)-, hydrochloride, (8S-cis)-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

Database identifiers

CAS
66678-33-9
PubChem CID
430459

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
195 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
40
Formal charge
0
Complexity
993

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