GD029103

Name:

ANTHENOSIDE G

Formula:

C42H70O14

Smiles:

C=C(CC[C@H](C)[C@@H]1[C@H](O[C@@H]2O[C@H]([C@H](O)COC)[C@H](O[C@@H]3O[C@H]([C@H](O)COC)[C@H](O)[C@H]3O)[C@H]2O)CC2=C3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C

Aglycone:

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

Sugarmoiety:

COCC(O)C1OOOC1O.COCO.OC(O)O

Other Identifiers

• CHEMBL1097917
• CNP0182637

AD00383

Formula: C28H46O4

Smiles:

C=C(CCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C)C(C)C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.86
AlogP:	4.61	Num_rotatable_bonds:	5
MolWt:	446.67	Num_heavy_atoms:	32
TPSA:	80.92	NumAromaticRings:	0

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