GD134512

Name:

N-{2-[(2-{[6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,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:

C55H86O20N2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5N=C(C)O)C4(C)C)C3=CCC21C

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C

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

• CNP0309401

AD04744

Formula: C29H44O2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C

HBA:	2	RingCount:	4
HBD:	1	FractionCSP3:	0.76
AlogP:	7.04	Num_rotatable_bonds:	4
MolWt:	424.67	Num_heavy_atoms:	31
TPSA:	37.3	NumAromaticRings:	0