GD031431

Name:

None

Formula:

C87H143O40N

Smiles:

CCCCCCCCCCCCNC(=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[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)C[C@]34C)[C@]2(C)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1.CCCCCCCCCCCCNC=O

Sugarmoiety:

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4516863

AD00118

Formula: C30H46O5

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.87
AlogP:	5.38	Num_rotatable_bonds:	2
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	94.83	NumAromaticRings:	0

AD11481

Formula: C13H27ON

Smiles:

CCCCCCCCCCCCNC=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.92
AlogP:	3.65	Num_rotatable_bonds:	12
MolWt:	213.36	Num_heavy_atoms:	15
TPSA:	29.1	NumAromaticRings:	0