GD120898

Name:

3,4,5-trihydroxy-6-methyloxan-2-yl 14-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate

Formula:

C53H86O21

Smiles:

CC(C)=CCCC(C)C1C(OC2OC(CO)C(O)C2O)CC2(C)C3CCC4C(C)(C(=O)OC5OC(C)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC(C)=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CNP0130803

AD48612

Formula: C30H48O4

Smiles:

CC(C)=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.2	Num_rotatable_bonds:	5
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0