GD000453

Name:

ILEKUDINOSIDE H

Formula:

C53H84O23

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4[C@H](O)CC4=C6[C@@]7(CC[C@](C)(OC7=O)[C@]6(C)O)CC[C@]45C)C3(C)C)OC[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL509740
• CNP0280687

AD00503

Formula: C30H46O5

Smiles:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

HBA:	5	RingCount:	7
HBD:	3	FractionCSP3:	0.9
AlogP:	4.91	Num_rotatable_bonds:	0
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0