GD122754

Name:

1-acetyl-3a,3b-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 benzoate

Formula:

C63H96O21

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(=O)c7ccccc7)C7(C)C(C(C)=O)CCC87O)C6)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:

CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)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

• CNP0251666

AD49501

Formula: C28H36O6

Smiles:

CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.64
AlogP:	3.58	Num_rotatable_bonds:	3
MolWt:	468.59	Num_heavy_atoms:	34
TPSA:	104.06	NumAromaticRings:	1