GD013570

Name:

10-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-2-one

Formula:

C42H66O13

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)C(=O)C[C@]54C)[C@@]2(C)CO)[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)(CO)C6CCC5(C)C4(C)CC2=O)C3C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3613730
• CNP0078554

AD10101

Formula: C30H46O4

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2=O)C3C1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.31	Num_rotatable_bonds:	1
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0