GD015758

Name:

5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-({2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-11-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acid

Formula:

C42H60O16

Smiles:

CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@]6(C)C[C@H](OC6=O)[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3314502
• CNP0391425

AD11415

Formula: C30H44O4

Smiles:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	5.86	Num_rotatable_bonds:	0
MolWt:	468.68	Num_heavy_atoms:	34
TPSA:	63.6	NumAromaticRings:	0