GD139193

Name:

1-acetyl-1,3a-dihydroxy-7-({5-[(5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-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-11-yl acetate

Formula:

C58H94O21

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6CCC7(C)C(=CCC8C7CC(OC(C)=O)C7(C)C(O)(C(C)=O)CCC87O)C6)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:

CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CNP0335995

AD47639

Formula: C23H34O6

Smiles:

CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C

HBA:	6	RingCount:	4
HBD:	3	FractionCSP3:	0.83
AlogP:	2.29	Num_rotatable_bonds:	2
MolWt:	406.52	Num_heavy_atoms:	29
TPSA:	104.06	NumAromaticRings:	0