GD131140

Name:

1-{3,3a,3b,11-tetrahydroxy-7-[(5-{[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)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-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:

C54H88O23

Smiles:

COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(O)C4(C)C(C(C)=O)CC(O)C54O)C3)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

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

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0335623

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