GD124200

Name:

15-{4-[(diaminomethylidene)amino]-1-hydroxybutyl}-6,25-dihydroxy-10-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-27-(hydroxymethyl)-7-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-azaoctacyclo[17.7.5.0¹,³¹.0²,¹³.0²,¹⁷.0³,¹¹.0⁴,⁹.0²¹,²⁶]hentriaconta-4(9),5,7,12,21(26),22,24-heptaene-11-carboxylic acid

Formula:

C56H66O15N6

Smiles:

N=C(N)NCCCC(O)C1CC2=CC3(C(=O)O)C(c4cc(O)c(OC5(O)OC(CO)C(O)C(O)C5O)cc4N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C23C(C1)CC1Cc2cccc(O)c2C32C(CO)CCCC12

Aglycone:

N=C(N)NCCCC(O)C1CC2=CC3(C(=O)O)C(c4cc(O)c(O)cc4N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C23C(C1)CC1Cc2cccc(O)c2C32C(CO)CCCC12

Sugarmoiety:

OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

• CNP0099825

AD50158

Formula: C50H56O9N6

Smiles:

N=C(N)NCCCC(O)C1CC2=CC3(C(=O)O)C(c4cc(O)c(O)cc4N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C23C(C1)CC1Cc2cccc(O)c2C32C(CO)CCCC12

HBA:	15	RingCount:	10
HBD:	12	FractionCSP3:	0.44
AlogP:	5.29	Num_rotatable_bonds:	11
MolWt:	885.03	Num_heavy_atoms:	65
TPSA:	269.57	NumAromaticRings:	4