GD157839

Name:

Hebevinoside Iii

Formula:

C43H70O13

Smiles:

CC(=O)OCC1OC(OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(O)C(O)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)C(O)C(O)C1O

Aglycone:

CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C.COC(C)=O

Sugarmoiety:

OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0318969

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

AD47019

Formula: C30H50O3

Smiles:

CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.87
AlogP:	6.28	Num_rotatable_bonds:	4
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0