GD154146

Name:

10-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-7-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Formula:

C60H82O21N2

Smiles:

CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(O)C(OC4CCC(=O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O

Aglycone:

CC1OC(O)CCC1=O.CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0335794

AD00014

Formula: C6H10O3

Smiles:

CC1OC(O)CCC1=O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.83
AlogP:	0.07	Num_rotatable_bonds:	0
MolWt:	130.14	Num_heavy_atoms:	9
TPSA:	46.53	NumAromaticRings:	0

AD61262

Formula: C48H64O16N2

Smiles:

CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

HBA:	18	RingCount:	9
HBD:	4	FractionCSP3:	0.69
AlogP:	3.4	Num_rotatable_bonds:	9
MolWt:	925.04	Num_heavy_atoms:	66
TPSA:	221.68	NumAromaticRings:	2