GD028678

Name:

6-{6-[(3-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhepta-2,4-dienoic acid

Formula:

C60H96O27

Smiles:

CC(=CC=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]12C)C(=O)O

Aglycone:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2368569
• CNP0368317

AD18711

Formula: C30H46O3

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)O

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	7.01	Num_rotatable_bonds:	4
MolWt:	454.7	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0