GD152363

Name:

N-{2-[(2-{[6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl}acetamide

Formula:

C55H88O20N2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C2OC2OC(COC4OCC(O)C(O)C4O)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:

CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0168940

AD04092

Formula: C29H46O2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

HBA:	2	RingCount:	4
HBD:	1	FractionCSP3:	0.83
AlogP:	7.27	Num_rotatable_bonds:	4
MolWt:	426.69	Num_heavy_atoms:	31
TPSA:	37.3	NumAromaticRings:	0