GD143331

Name:

2-[(6-{[6-({6-[(6-{[1,3a,11-trihydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H94O23

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC(O)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0321879

AD54567

Formula: C21H36O5

Smiles:

CC(O)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12C

HBA:	5	RingCount:	4
HBD:	5	FractionCSP3:	1.0
AlogP:	1.59	Num_rotatable_bonds:	1
MolWt:	368.51	Num_heavy_atoms:	26
TPSA:	101.15	NumAromaticRings:	0