GD129386

Name:

6-(1-{6-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-14-hydroxy-7-(hydroxymethyl)-7,11,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}ethyl)-3-methyl-5,6-dihydro-2H-pyran-2-one

Formula:

C48H76O19

Smiles:

CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC2OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C2O)C(C)(CO)C5CCC34C)OC1=O

Aglycone:

CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(O)C(C)(CO)C5CCC34C)OC1=O

Sugarmoiety:

OCC1OC(OCC2OC(OC3C(O)OCC(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0391585

AD52414

Formula: C31H48O5

Smiles:

CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(O)C(C)(CO)C5CCC34C)OC1=O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	5.02	Num_rotatable_bonds:	3
MolWt:	500.72	Num_heavy_atoms:	36
TPSA:	86.99	NumAromaticRings:	0