GD121094

Name:

20-amino-14-({9-formyl-9b-hydroxy-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-8-yl}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:

C54H55O15N

Smiles:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O

Aglycone:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O

Sugarmoiety:

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

Other Identifiers

• CNP0088652

AD48709

Formula: C48H45O10N

Smiles:

CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O

HBA:	11	RingCount:	8
HBD:	7	FractionCSP3:	0.33
AlogP:	5.37	Num_rotatable_bonds:	5
MolWt:	795.88	Num_heavy_atoms:	59
TPSA:	204.68	NumAromaticRings:	4