GD142073

Name:

20-amino-14-{[2-formyl-3-(1-hydroxycyclopentyl)phenyl]methyl}-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-15-[(3,4,4,5-tetrahydroxy-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:

C52H53O15N

Smiles:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4O)c(Cc4cccc(C5(O)CCCC5)c4C=O)c(O)c(c1C3=O)C2=O

Aglycone:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(C5(O)CCCC5)c4C=O)c(O)c(c1C3=O)C2=O

Sugarmoiety:

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

Other Identifiers

• CNP0302117

AD57186

Formula: C46H43O10N

Smiles:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(C5(O)CCCC5)c4C=O)c(O)c(c1C3=O)C2=O

HBA:	11	RingCount:	7
HBD:	7	FractionCSP3:	0.3
AlogP:	5.2	Num_rotatable_bonds:	6
MolWt:	769.85	Num_heavy_atoms:	57
TPSA:	204.68	NumAromaticRings:	4