GD037571

Name:

None

Formula:

C59H90O16

Smiles:

C=C[C@H](O)C#CC#CC[C@H](O)[C@H](CCCCCCC)OC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC=O.CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4099595

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0

AD23650

Formula: C18H26O4

Smiles:

C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC=O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.61
AlogP:	2.19	Num_rotatable_bonds:	11
MolWt:	306.4	Num_heavy_atoms:	22
TPSA:	66.76	NumAromaticRings:	0