(19S)-19-(2-hydroxyethyl)-19-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

PubChem CID: 163102230

Connections displayed (default: 10).

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Topological Polar Surface Area	179.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	38.0
Isotope Atom Count	0.0
Molecular Complexity	1050.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(19S)-19-(2-hydroxyethyl)-19-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Prediction Hob	0.0
Xlogp	-1.8
Molecular Formula	C26H26N2O10
Prediction Swissadme	0.0
Inchi Key	DMJSWTZCWLJTQF-FATQUBODSA-N
Fcsp3	0.4230769230769231
Logs	-3.8
Rotatable Bond Count	5.0
Logd	-0.026
Compound Name	(19S)-19-(2-hydroxyethyl)-19-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Prediction Hob Swissadme	0.0
Exact Mass	526.159
Formal Charge	0.0
Monoisotopic Mass	526.159
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	526.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Esol	-2.9976665473684223
Inchi	InChI=1S/C26H26N2O10/c29-6-5-26(38-24-22(33)21(32)20(31)18(10-30)37-24)15-8-17-19-13(7-12-3-1-2-4-16(12)27-19)9-28(17)23(34)14(15)11-36-25(26)35/h1-4,7-8,18,20-22,24,29-33H,5-6,9-11H2/t18-,20-,21+,22-,24+,26+/m1/s1
Smiles	C1C2=CC3=CC=CC=C3N=C2C4=CC5=C(COC(=O)[C@@]5(CCO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C(=O)N41
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients

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