GD140102

Name:

1-[3a,3b,11-trihydroxy-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-1-yl]ethan-1-one

Formula:

C56H92O20

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6CCC7(C)C(=CCC8(O)C7CC(O)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(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

• CNP0145397

AD46807

Formula: C21H32O5

Smiles:

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

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.86
AlogP:	1.72	Num_rotatable_bonds:	1
MolWt:	364.48	Num_heavy_atoms:	26
TPSA:	97.99	NumAromaticRings:	0