Phytochemical: 1-O-[(2S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl 2-hydroxy-2-(3-methylbutyl)butanedioate

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Prediction Swissadme	0.0
Topological Polar Surface Area	104.0
Hydrogen Bond Donor Count	1.0
Inchi Key	WRCBXHDQHPUVHW-VEUOXVICSA-N
Fcsp3	0.6428571428571429
Rotatable Bond Count	10.0
Heavy Atom Count	37.0
Compound Name	1-O-[(2S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl 2-hydroxy-2-(3-methylbutyl)butanedioate
Prediction Hob Swissadme	0.0
Exact Mass	515.252
Formal Charge	0.0
Monoisotopic Mass	515.252
Isotope Atom Count	0.0
Molecular Complexity	907.0
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	515.6
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	1.0
Iupac Name	1-O-[(2S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl 2-hydroxy-2-(3-methylbutyl)butanedioate
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-3.6685386000000033
Inchi	InChI=1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25?,27?,28?/m1/s1
Smiles	CC(C)CCC(CC(=O)OC)(C(=O)OC1[C@H]2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O
Xlogp	1.9
Defined Bond Stereocenter Count	0.0
Molecular Formula	C28H37NO8

1. Outgoing r'ship FOUND_IN to/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Cephalotaxus Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients

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