Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C45H74O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-40-35(53)33(51)31(49)20(3)57-40)37(55)38(29(16-47)60-42)61-41-36(54)34(52)32(50)28(15-46)59-41/h18-42,46-55H,6-17H2,1-5H3/t18-,19+,20?,21+,22-,23+,24+,25-,26-,27+,28?,29?,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43+,44+,45-/m1/s1
chemicalCompound:standardIn...
JAZQCVQBFDSLCR-PYZJYDEDSA-N
chemicalCompound:canonicalS...
C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C
chemicalCompound:molecularF...
C45H74O18
chemicalCompound:moleculeId
1286940
chemicalCompound:mwFreebase
903.058
chemicalCompound:alogp
-0.436
chemicalCompound:hba
18
chemicalCompound:hbd
10
chemicalCompound:psa
276.14
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.644
chemicalCompound:acdLogP
2.505
chemicalCompound:acdLogD
2.504
chemicalCompound:molecularS...
chemicalCompound:fullMwt
903.058
chemicalCompound:chemblId
CHEMBL1965649
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:8227256, activity:8278831, activity:8348279, activity:8363493, activity:8378054, activity:8402604, activity:8464399, activity:8484290, activity:8553575, activity:8569194, activity:8649983, activity:8659772, activity:8701395, activity:8745781, activity:8748343, activity:8838729, activity:8849904, activity:8880892, activity:8901445, activity:8944656, activity:9049166, activity:9052639, activity:9147808, activity:9165682, activity:9265468, activity:9280709, activity:9334165, activity:9341706, activity:9414935, activity:9486970, activity:9571434, activity:9670457, activity:9760217, activity:9770710, activity:9840705, activity:9869708, activity:9941305, activity:9969671, activity:10011333, activity:10022676, activity:10059209, activity:10135332, activity:10150149, activity:10190873, activity:10227615, activity:10259137, activity:10300199, activity:10346446, activity:10417012, activity:10457596, activity:10471850, activity:10569778, activity:10649832, activity:10668852, activity:10678017, activity:10698250, activity:10771275