GD142977

Name:

6-{[8-carboxy-9-(methoxymethyl)-11,24,24,28,29-pentamethyl-20-[(methylamino)methyl]-4-(2-oxoethyl)octacyclo[19.7.1.1¹¹,¹⁵.0¹,¹⁸.0⁵,¹⁶.0⁵,²⁸.0⁸,¹⁵.0²⁵,²⁹]triaconta-2,13,16-trien-23-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C48H69O11N

Smiles:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC34C(CC=O)C=CC23C2(C)C1CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)(C)C2CCC43C)C5

Aglycone:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC34C(CC=O)C=CC23C2(C)C1CC(O)C(C)(C)C2CCC43C)C5

Sugarmoiety:

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

Other Identifiers

• CNP0091136

AD57525

Formula: C42H61O5N

Smiles:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC34C(CC=O)C=CC23C2(C)C1CC(O)C(C)(C)C2CCC43C)C5

HBA:	6	RingCount:	8
HBD:	3	FractionCSP3:	0.81
AlogP:	7.23	Num_rotatable_bonds:	7
MolWt:	659.95	Num_heavy_atoms:	48
TPSA:	95.86	NumAromaticRings:	0