GD005172

Name:

ANTHENOSIDE E

Formula:

C41H70O14

Smiles:

COC[C@H](O)[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CC4=C5[C@H](O)[C@H](O)[C@@H]6C[C@H](O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H](C)CCCC(C)C)O[C@H]2[C@H](O)COC)[C@H](O)[C@H]1O

Aglycone:

CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C.COCCO.COCCO

Sugarmoiety:

COCC(O)C1OC(O)C(O)C1OOOC(O)O

Other Identifiers

• CHEMBL1097916
• CNP0330747

AD00384

Formula: C3H8O2

Smiles:

COCCO

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	76.09	Num_heavy_atoms:	5
TPSA:	29.46	NumAromaticRings:	0

AD04418

Formula: C27H46O4

Smiles:

CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.93
AlogP:	4.45	Num_rotatable_bonds:	5
MolWt:	434.66	Num_heavy_atoms:	31
TPSA:	80.92	NumAromaticRings:	0