GD155588

Name:

6-[(6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-11,12-dihydroxy-3,5,7,9,13,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-4-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl propanoate

Formula:

C47H84O16N2

Smiles:

CCC(=O)OC1C(C)OC(OC2C(C)C(=O)OC(CC)C(C)(C)C(O)C(O)C(=O)C(C)CC(C)(OC3CC(N(C)C)C(O)C(C)O3)C(OC3OC(C)CC(N(C)C)C3O)C2C)CC1(C)O

Aglycone:

CCC(=O)O.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(O)C(O)C1(C)C

Sugarmoiety:

CC1OC(O)CC(C)(O)C1O

Other Identifiers

• CNP0153522

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD59843

Formula: C37H68O12N2

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(O)C(O)C1(C)C

HBA:	14	RingCount:	3
HBD:	5	FractionCSP3:	0.95
AlogP:	1.31	Num_rotatable_bonds:	7
MolWt:	732.95	Num_heavy_atoms:	51
TPSA:	187.92	NumAromaticRings:	0