GD142550

Name:

6-{[7-carboxy-29-hydroxy-8-(methoxymethyl)-10,23,23,28-tetramethyl-19-({[2-(methylamino)ethyl]amino}methyl)-30-(3-oxopropyl)octacyclo[18.6.2.1¹,⁵.1¹⁰,¹⁴.0⁷,¹⁴.0¹⁷,²⁷.0²⁴,²⁸.0¹⁵,³⁰]triaconta-12,15-dien-22-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C50H76O12N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(OC8OC(C(=O)O)C(O)C(O)C8O)CC1C7(C)C26)C34CCC=O)C5O

Aglycone:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5O

Sugarmoiety:

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

Other Identifiers

• CNP0097386

AD57358

Formula: C44H68O6N2

Smiles:

CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5O

HBA:	8	RingCount:	8
HBD:	5	FractionCSP3:	0.86
AlogP:	6.02	Num_rotatable_bonds:	11
MolWt:	721.04	Num_heavy_atoms:	52
TPSA:	128.12	NumAromaticRings:	0