GD136411

Name:

10-(acetyloxy)-2-hydroxy-16-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-6-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosan-11-yl 3-phenylprop-2-enoate

Formula:

C60H90O23

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3C(OC(=O)C=Cc3ccccc3)C(OC(C)=O)C35COC(C)(OC)C3CCC45O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:

COC1(C)OCC23C(OC(C)=O)C(OC(=O)C=Cc4ccccc4)C4C(CCC5CC(O)CCC54C)C2(O)CCC13

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

• CNP0235669

AD55142

Formula: C33H44O8

Smiles:

COC1(C)OCC23C(OC(C)=O)C(OC(=O)C=Cc4ccccc4)C4C(CCC5CC(O)CCC54C)C2(O)CCC13

HBA:	8	RingCount:	6
HBD:	2	FractionCSP3:	0.7
AlogP:	4.27	Num_rotatable_bonds:	5
MolWt:	568.71	Num_heavy_atoms:	41
TPSA:	111.52	NumAromaticRings:	1