GD132827

Name:

20-amino-14-{[3-(3-ethyl-1-hydroxycyclopentyl)-2-formylphenyl]methyl}-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:

C54H57O14N

Smiles:

CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3OC3OC(C)C(O)C(O)C3O)CC#CC(N)CCC(O)Cc3cccc(c3)C=Cc3c(OC(C)=O)cc(CO)c(c3C5=O)C4=O)c2C=O)C1

Aglycone:

CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3O)C(=O)c3c(CO)cc(OC(C)=O)c(c3C5=O)C=Cc3cccc(c3)CC(O)CCC(N)C#CC4)c2C=O)C1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0095054

AD53490

Formula: C48H47O10N

Smiles:

CCC1CCC(O)(c2cccc(Cc3c(O)c4c5c(c3O)C(=O)c3c(CO)cc(OC(C)=O)c(c3C5=O)C=Cc3cccc(c3)CC(O)CCC(N)C#CC4)c2C=O)C1

HBA:	11	RingCount:	7
HBD:	7	FractionCSP3:	0.33
AlogP:	5.83	Num_rotatable_bonds:	7
MolWt:	797.9	Num_heavy_atoms:	59
TPSA:	204.68	NumAromaticRings:	4