GD133934

Name:

26-{2-[4-amino-2,4-dihydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}-35-cyclopentyl-28-hydroxy-7,30-bis(hydroxymethyl)-7,30,34-trimethyl-29-[(3,4,5-trihydroxyoxan-2-yl)oxy]-13,15,17-triazaoctacyclo[25.7.1.0⁴,²¹.0⁵,¹⁰.0¹¹,²⁰.0¹⁴,¹⁸.0²¹,³⁴.0³¹,³⁵]pentatriaconta-3,14(18),15-trien-24-yne-10-carboxylic acid

Formula:

C60H87O14N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C5CCCC5)C5C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C4CCC3(C)C1(CCC#CC5C1C(CO)C(O)=NC1C(c1cnc[nH]1)C(O)CC(N)O)C1Cc3nc[nH]c3NCC12

Aglycone:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C5CCCC5)C5C(O)C(O)C(C)(CO)C4CCC3(C)C1(CCC#CC5C1C(CO)C(O)=NC1C(c1cnc[nH]1)C(O)CC(N)O)C1Cc3nc[nH]c3NCC12

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0215928

AD54182

Formula: C55H79O10N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C5CCCC5)C5C(O)C(O)C(C)(CO)C4CCC3(C)C1(CCC#CC5C1C(CO)C(O)=NC1C(c1cnc[nH]1)C(O)CC(N)O)C1Cc3nc[nH]c3NCC12

HBA:	17	RingCount:	11
HBD:	14	FractionCSP3:	0.78
AlogP:	3.88	Num_rotatable_bonds:	11
MolWt:	998.28	Num_heavy_atoms:	72
TPSA:	306.91	NumAromaticRings:	2