GD120555

Name:

10-[7-(3-aminopropyl)-7-(1H-imidazol-4-yl)-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indol-4-yl]-9-hydroxy-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹⁵.0³,¹².0⁶,¹¹.0²⁰,²⁵]pentacos-14-ene-25-carboxylic acid

Formula:

C52H78O11N4

Smiles:

CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(C5C=CC(CCCN)(c6cnc[nH]6)C6N=C(O)CC56)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC2(C)C13C

Aglycone:

CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(C5C=CC(CCCN)(c6cnc[nH]6)C6N=C(O)CC56)C(O)C(O)C(C)(CO)C4CCC2(C)C13C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0289296

AD48449

Formula: C47H70O7N4

Smiles:

CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(C5C=CC(CCCN)(c6cnc[nH]6)C6N=C(O)CC56)C(O)C(O)C(C)(CO)C4CCC2(C)C13C

HBA:	11	RingCount:	9
HBD:	9	FractionCSP3:	0.81
AlogP:	5.94	Num_rotatable_bonds:	8
MolWt:	803.1	Num_heavy_atoms:	58
TPSA:	205.51	NumAromaticRings:	1