GD114420

Name:

cavaol c

Formula:

C40H58O15

Smiles:

C=C(CO)C(CC=C(C)C)Cc1cc(C(O)C(=O)OC)cc(CC=C(C)C)c1OC1OC(CO)C(OC(=O)C(C)=CC)C(OC2OCC(O)C(O)C2O)C1O

Aglycone:

C=C(CO)C(CC=C(C)C)Cc1cc(C(O)C(=O)OC)cc(CC=C(C)C)c1O.CC=C(C)C(=O)O

Sugarmoiety:

OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0437142

AD00342

Formula: C5H8O2

Smiles:

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

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.04	Num_rotatable_bonds:	1
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD45046

Formula: C24H34O5

Smiles:

C=C(CO)C(CC=C(C)C)Cc1cc(C(O)C(=O)OC)cc(CC=C(C)C)c1O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.46
AlogP:	4.17	Num_rotatable_bonds:	10
MolWt:	402.53	Num_heavy_atoms:	29
TPSA:	86.99	NumAromaticRings:	1