GD125157

Name:

None

Formula:

C41H68O14

Smiles:

C=C(CCC(C)C1C(OC2OC(C(O)CO)C(O)C2O)CC2=C3C(OC4OC(C(O)COC)C(O)C4O)C(O)C4CC(O)CCC4(C)C3CCC21C)C(C)C

Aglycone:

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

Sugarmoiety:

COCC(O)C1OC(O)C(O)C1O.OCOOC(O)C(O)O

Other Identifiers

• CNP0429420

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