GD032120

Name:

None

Formula:

C94H147O42N

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)NCCCCCCCCCCC(=O)OCc8ccccc8)[C@H](O)[C@H](O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)O[C@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[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.O=CNCCCCCCCCCCC(=O)OCc1ccccc1

Sugarmoiety:

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4645890

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

AD20478

Formula: C19H29O3N

Smiles:

O=CNCCCCCCCCCCC(=O)OCc1ccccc1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.58
AlogP:	3.99	Num_rotatable_bonds:	14
MolWt:	319.44	Num_heavy_atoms:	23
TPSA:	55.4	NumAromaticRings:	1