GD132532

Name:

24-[7'-(3-amino-1,3-dihydroxy-2-{[(2-{[3-(2-oxoethyl)cyclohexyl]amino}ethyl)amino]methyl}propyl)-7'-(1H-imidazol-4-yl)-2'-oxo-1',2',3'a,4',7',7'a-hexahydrospiro[cyclopentane-1,3'-indol]-4'-yl]-25-hydroxy-16,27-bis(hydroxymethyl)-2,16,23,27-tetramethyl-26-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6,8,10-triazaoctacyclo[19.9.3.0¹,²².0²,¹⁹.0³,¹².0⁵,⁹.0¹³,¹⁸.0²³,²⁸]tritriaconta-5(9),7,19-triene-13-carboxylic acid

Formula:

C71H107O14N9

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3CCCC4(CCC5C(C)(CO)C(OC6OCC(O)C(O)C6O)C(O)C(C6C=CC(c7cnc[nH]7)(C(O)C(CNCCNC7CCCC(CC=O)C7)C(N)O)C7N=C(O)C8(CCCC8)C67)C5(C)C34)C1(C)C1Cc3nc[nH]c3NCC12

Aglycone:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3CCCC4(CCC5C(C)(CO)C(O)C(O)C(C6C=CC(c7cnc[nH]7)(C(O)C(CNCCNC7CCCC(CC=O)C7)C(N)O)C7N=C(O)C8(CCCC8)C67)C5(C)C34)C1(C)C1Cc3nc[nH]c3NCC12

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0098749

AD53665

Formula: C66H99O10N9

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3CCCC4(CCC5C(C)(CO)C(O)C(O)C(C6C=CC(c7cnc[nH]7)(C(O)C(CNCCNC7CCCC(CC=O)C7)C(N)O)C7N=C(O)C8(CCCC8)C67)C5(C)C34)C1(C)C1Cc3nc[nH]c3NCC12

HBA:	19	RingCount:	13
HBD:	15	FractionCSP3:	0.8
AlogP:	5.55	Num_rotatable_bonds:	16
MolWt:	1178.57	Num_heavy_atoms:	85
TPSA:	327.81	NumAromaticRings:	2