GD120719

Name:

14-hydroxy-7,7,12,16-tetramethyl-15-(6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl)-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-one

Formula:

C47H78O18

Smiles:

CC(CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)OC1OCC(O)C(O)C1O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12C

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0347222

AD48526

Formula: C30H50O5

Smiles:

CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.48	Num_rotatable_bonds:	5
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0