GD135535

Name:

6-[14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}heptan-3-yl acetate

Formula:

C50H84O21

Smiles:

CC(=O)OC(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)C(C)(C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(=O)OC(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C)C(C)(C)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0291250

AD50505

Formula: C32H54O6

Smiles:

CC(=O)OC(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C)C(C)(C)O

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.85	Num_rotatable_bonds:	7
MolWt:	534.78	Num_heavy_atoms:	38
TPSA:	107.22	NumAromaticRings:	0