GD000933

Name:

6-{6-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-14,17-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylheptan-3-one

Formula:

C48H80O19

Smiles:

CC(C)C(=O)CC[C@H](C)[C@@H]1[C@H](O)C[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]5O[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)CC[C@]45C[C@@]35C[C@H](O)[C@]12C

Aglycone:

CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1163141
• CNP0111462

AD00976

Formula: C30H50O4

Smiles:

CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.97
AlogP:	5.37	Num_rotatable_bonds:	5
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0