(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

PubChem CID: 162942688

Connections displayed (default: 10).

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Topological Polar Surface Area	169.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	35.0
Isotope Atom Count	0.0
Molecular Complexity	852.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Prediction Hob	0.0
Xlogp	-0.5
Molecular Formula	C24H29NO10
Prediction Swissadme	0.0
Inchi Key	ODZVWJRTEQQVCO-YVOSWJMZSA-N
Fcsp3	0.5416666666666666
Logs	-2.016
Rotatable Bond Count	4.0
Logd	0.123
Compound Name	(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Prediction Hob Swissadme	0.0
Exact Mass	491.179
Formal Charge	0.0
Monoisotopic Mass	491.179
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	491.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-2.4603137428571435
Inchi	InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15-,18+,19+,20-,21+,23+,24-/m1/s1
Smiles	C=C[C@@H]1[C@@H]2C[C@@H]3C4=CC(=C(C=C4CCN3C(=O)C2=CO[C@H]1O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Tragopogon Porrifolius (Plant) Rel Props:Source_db:cmaup_ingredients

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