Mrv0541 05061310432D          

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M  END
> <DATABASE_ID>
CHEM023550

> <DATABASE_NAME>
chemdb

> <SMILES>
OCC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2

> <INCHI_KEY>
OMDQUFIYNPYJFM-UHFFFAOYSA-N

> <FORMULA>
C18H32O16

> <MOLECULAR_WEIGHT>
504.4371

> <EXACT_MASS>
504.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
47.169098418354885

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.75

> <JCHEM_LOGP>
-6.474210509333335

> <ALOGPS_LOGS>
-0.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.962841079697144

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.215590259565943

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483775752014163

> <JCHEM_POLAR_SURFACE_AREA>
268.67999999999995

> <JCHEM_REFRACTIVITY>
100.75

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.75e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
6-O-Glucosylmaltose

> <CAS>
25218-29-5

> <SYNONYMS>
alpha-D-Galactopyranosyl-(1->6)-[beta-D-mannopyranosyl-(1->4)]-D-mannose

$$$$