GD114978

Name:

Hebevinoside V

Formula:

C46H74O14

Smiles:

COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(OC4OC(COC(C)=O)C(O)C(O)C4O)CC3(C)C12

Aglycone:

COC(C)=O.COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12

Sugarmoiety:

CC(=O)OCC1OC(O)C(O)C(O)C1O.OC1OCOC(O)C1O

Other Identifiers

• CNP0219484

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

AD45313

Formula: C31H52O3

Smiles:

COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.87
AlogP:	6.93	Num_rotatable_bonds:	5
MolWt:	472.75	Num_heavy_atoms:	34
TPSA:	49.69	NumAromaticRings:	0