UNPD70303

AlkaPlorer ID: AK318691

Synonym: None

IUPAC Name: None

Structure

SMILES: COC(=O)[C@@H]([C@@H](C)OC)N(C)C(=O)[C@]1(N(O)C(=O)/C=C/C=C/C=C/C=C\CNC(=O)C(C)(C)[C@@H](O)/C(C)=C\C=C/C=C/CC2=CN=C(C)O2)COCO1

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InChI: InChI=1S/C38H52N4O11/c1-27(20-16-13-14-17-21-30-24-40-29(3)53-30)33(44)37(4,5)35(46)39-23-19-15-11-9-10-12-18-22-31(43)42(48)38(25-51-26-52-38)36(47)41(6)32(28(2)49-7)34(45)50-8/h9-20,22,24,28,32-33,44,48H,21,23,25-26H2,1-8H3,(H,39,46)/b11-9+,12-10+,16-13-,17-14+,19-15-,22-18+,27-20-/t28-,32-,33+,38+/m1/s1

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InChIKey: QLYLQWXXASWNFL-LVKFIVHMSA-N

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Reference

SuperNatural Ⅲ: SN0309046-02

NPASS: NPC157027

Source

Properties Information

Molecule Weight: 740.851

TPSA: 190.2

MolLogP: 3.265620000000004

Number of H-Donors: 3

Number of H-Acceptors: 12

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information