GD156174

Name:

Bionectriol C

Formula:

C46H82O17

Smiles:

CCC(C)CC(C)CC(C)C(OC1OC(COC(C)=O)C(O)C(O)C1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C(=O)OCC(O)C(O)C(O)C(O)CO

Aglycone:

CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=O.COC(C)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)C(O)COO

Other Identifiers

• CNP0337828

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06969

Formula: C32H58O5

Smiles:

CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=O

HBA:	5	RingCount:	0
HBD:	4	FractionCSP3:	0.78
AlogP:	6.11	Num_rotatable_bonds:	17
MolWt:	522.81	Num_heavy_atoms:	37
TPSA:	97.99	NumAromaticRings:	0