2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

CAS: 1392-21-8

Formula: C35H59NO13

SMILES: COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C1O)N(C)C

IUPAC: 2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

InChI: InChI=1/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3

Composition: C (59.90%), H (8.47%), N (2.00%), O (29.63%)

Molar Mass: 701.851

Atom Count: 108

Heavy Atom Count: 49

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	16
Exact Mass	701.398640964
Formal Charge	0
FSP3	0.83
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	5
InChIKey	XYJOGTQLTFNMQG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	178.95
Topological Polar Surface Area	193.91
Polarizability	71.6
Ring Count	3
Rotatable Bond Count	8

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