5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxamide
AlkaPlorer ID: AK256798
Synonym: None
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide
Structure
SMILES: C=C(C)[C@@H]1CC[C@]2(C(=N)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI: InChI=1S/C36H59NO7/c1-19(2)20-10-15-36(31(37)42)17-16-34(6)21(26(20)36)8-9-24-33(5)13-12-25(32(3,4)23(33)11-14-35(24,34)7)44-30-29(41)28(40)27(39)22(18-38)43-30/h20-30,38-41H,1,8-18H2,2-7H3,(H2,37,42)/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,33-,34+,35+,36-/m0/s1
InChIKey: HNNUICHYFDKZGP-XGUXKNSRSA-N
Source
Properties Information
Molecule Weight: 617.868
TPSA？: 143.46
MolLogP？: 5.364370000000005
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|