GD031043

Name:

2-{4-[19-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-16-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H76O18

Smiles:

CO[C@@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3329798
• CNP0250336

AD10016

Formula: C28H48O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	4.37	Num_rotatable_bonds:	5
MolWt:	464.69	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0