GD129544

Name:

6-(1-{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}ethyl)-3-methyl-5,6-dihydro-2H-pyran-2-one

Formula:

C48H76O18

Smiles:

CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O

Aglycone:

CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)OC1=O

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0250283

AD52475

Formula: C30H46O3

Smiles:

CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)OC1=O

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.9
AlogP:	6.68	Num_rotatable_bonds:	2
MolWt:	454.7	Num_heavy_atoms:	33
TPSA:	46.53	NumAromaticRings:	0