GD021791

Name:

1-[8,9-dihydroxy-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-6-yl]ethan-1-one

Formula:

C41H66O17

Smiles:

CO[C@@H]1C[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4[C@@H](O)[C@@H](O)[C@]5(C)[C@@H](C(C)=O)CC[C@]56O[C@]46CC[C@@H]3C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@@H]1O

Aglycone:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

• CHEMBL3360249
• CNP0077539

AD14841

Formula: C21H32O5

Smiles:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.95
AlogP:	1.81	Num_rotatable_bonds:	1
MolWt:	364.48	Num_heavy_atoms:	26
TPSA:	90.29	NumAromaticRings:	0