GD151244

Name:

methyl 3-{17-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6,9-dihydroxy-18-(hydroxymethyl)-2,8,10,14,18-pentamethyl-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-1(13)-en-7-yl}-2-methylprop-2-enoate

Formula:

C49H78O21

Smiles:

COC(=O)C(C)=CC1C(O)OC2CC3(C)C4=C(CCC3(C)C2(O)C1C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(C)(CO)C1CC4

Aglycone:

COC(=O)C(C)=CC1C(O)OC2CC3(C)C4=C(CCC3(C)C2(O)C1C)C1(C)CCC(O)C(C)(CO)C1CC4

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0242855

AD60338

Formula: C31H48O7

Smiles:

COC(=O)C(C)=CC1C(O)OC2CC3(C)C4=C(CCC3(C)C2(O)C1C)C1(C)CCC(O)C(C)(CO)C1CC4

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.84
AlogP:	3.88	Num_rotatable_bonds:	3
MolWt:	532.72	Num_heavy_atoms:	38
TPSA:	116.45	NumAromaticRings:	0