GD012132

Name:

2-{[3,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl}oxy)-6-methyloxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C42H68O12

Smiles:

C[C@@H]1O[C@H](OC2CC[C@]3(C)C(CC[C@]4(C)C3C=C[C@]35OC[C@]6(CCC(C)(C)CC36)[C@H](O)C[C@]54C)C2(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1159426
• CNP0114770

AD09166

Formula: C30H48O3

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	6.13	Num_rotatable_bonds:	0
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0