GD120204

Name:

Hoodistanaloside A

Formula:

C46H74O18

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3CCC4(C)C5CCC6(C)C(C(C)OC7OC(CO)C(O)C(O)C7O)CCC6(O)C5C(C=O)C4(O)C3)CC2OC)C(O)C1OC

Aglycone:

CC(O)C1CCC2(O)C3C(CCC12C)C1(C)CCC(O)CC1(O)C3C=O.CC=C(C)C(=O)O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0290153

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

AD48253

Formula: C21H34O5

Smiles:

CC(O)C1CCC2(O)C3C(CCC12C)C1(C)CCC(O)CC1(O)C3C=O

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.95
AlogP:	1.65	Num_rotatable_bonds:	2
MolWt:	366.5	Num_heavy_atoms:	26
TPSA:	97.99	NumAromaticRings:	0