GD148153

Name:

6-{[7-carboxy-35-hydroxy-8-(methoxymethyl)-10,19,21,21-tetramethyl-33-({[2-(methylamino)ethyl]amino}methyl)-29-(2-oxoethyl)decacyclo[18.10.2.2¹⁷,²⁴.1¹⁰,¹⁴.0¹,¹⁸.0⁵,³⁰.0⁷,¹⁴.0¹⁵,³⁰.0¹⁸,²⁷.0¹⁹,²⁴]pentatriaconta-12,15,25,27-tetraen-22-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C54H76O12N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(OC9OC(C(=O)O)C(O)C(O)C9O)CC19C=CC(=CC(CC=O)C346)C27C89C)C5O

Aglycone:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC19C=CC(=CC(CC=O)C346)C27C89C)C5O

Sugarmoiety:

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

Other Identifiers

• CNP0098364

AD59298

Formula: C48H68O6N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC19C=CC(=CC(CC=O)C346)C27C89C)C5O

HBA:	8	RingCount:	10
HBD:	5	FractionCSP3:	0.79
AlogP:	6.49	Num_rotatable_bonds:	10
MolWt:	769.08	Num_heavy_atoms:	56
TPSA:	128.12	NumAromaticRings:	0