GD122201

Name:

6-{[14-carboxy-33-hydroxy-13-(methoxymethyl)-11,24,24,31-tetramethyl-28-({[2-(methylamino)ethyl]amino}methyl)-4-(2-oxoethyl)nonacyclo[21.7.1.1⁶,³⁰.1⁷,¹¹.0¹,²⁰.0⁵,¹⁶.0⁵,²⁰.0⁷,¹⁴.0²⁷,³¹]tritriaconta-2,6(32),8-trien-25-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C52H76O12N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(OC9OC(C(=O)O)C(O)C(O)C9O)CC1C8(C)C26C=CC(CC=O)C347)C5O

Aglycone:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC1C8(C)C26C=CC(CC=O)C347)C5O

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0089711

AD49227

Formula: C46H68O6N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC1C8(C)C26C=CC(CC=O)C347)C5O

HBA:	8	RingCount:	9
HBD:	5	FractionCSP3:	0.83
AlogP:	6.18	Num_rotatable_bonds:	10
MolWt:	745.06	Num_heavy_atoms:	54
TPSA:	128.12	NumAromaticRings:	0