GD130932

Name:

23-({2-[4-amino-2,4-dihydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}methyl)-22-cyclopentyl-24-hydroxy-15,26-bis(hydroxymethyl)-15,26,30-trimethyl-25-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5,7,9-triazaoctacyclo[19.9.3.0¹,¹⁸.0²,¹¹.0⁴,⁸.0¹²,¹⁷.0²¹,³⁰.0²²,²⁷]tritriaconta-4(8),6,18-triene-12-carboxylic acid

Formula:

C59H89O14N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)C(CC2C(CO)C(O)=NC2C(c2cnc[nH]2)C(O)CC(N)O)C14C1CCCC1

Aglycone:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(CO)C(O)=NC2C(c2cnc[nH]2)C(O)CC(N)O)C14C1CCCC1

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0417713

AD53064

Formula: C54H81O10N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(O)C(O)C(CC2C(CO)C(O)=NC2C(c2cnc[nH]2)C(O)CC(N)O)C14C1CCCC1

HBA:	17	RingCount:	11
HBD:	14	FractionCSP3:	0.81
AlogP:	4.41	Num_rotatable_bonds:	12
MolWt:	988.28	Num_heavy_atoms:	71
TPSA:	306.91	NumAromaticRings:	2