GD006445

Name:

2-hydroxy-1-{11-hydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-5(10)-en-8-yl}-2-methylpropyl acetate

Formula:

C37H58O10

Smiles:

CC(=O)O[C@H]([C@@H]1C[C@H](C)C2=C(O1)[C@H](O)[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]21C)C(C)(C)O

Aglycone:

CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CHEMBL2152860
• CHEMBL3221249
• CNP0207686

AD05342

Formula: C32H50O6

Smiles:

CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.91
AlogP:	5.13	Num_rotatable_bonds:	3
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	96.22	NumAromaticRings:	0