GD116918

Name:

1-{3,3a,3b,11-tetrahydroxy-7-[(4-hydroxy-5-{[4-hydroxy-5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:

C52H84O23

Smiles:

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(C(C)=O)CC(O)C76O)C5)OC4C)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(=O)C1CC(O)C2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0273995

AD46526

Formula: C21H32O6

Smiles:

CC(=O)C1CC(O)C2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

HBA:	6	RingCount:	4
HBD:	5	FractionCSP3:	0.86
AlogP:	0.69	Num_rotatable_bonds:	1
MolWt:	380.48	Num_heavy_atoms:	27
TPSA:	118.22	NumAromaticRings:	0