GD121582

Name:

Hoodistanaloside B

Formula:

C46H72O17

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3CCC4(C)C(=C(C=O)C5C4CCC4(C)C(C(C)OC6OC(CO)C(O)C(O)C6O)CCC54O)C3)CC2OC)C(O)C1OC

Aglycone:

CC(O)C1CCC2(O)C3C(C=O)=C4CC(O)CCC4(C)C3CCC12C.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

• CNP0197355

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

AD48950

Formula: C21H32O4

Smiles:

CC(O)C1CCC2(O)C3C(C=O)=C4CC(O)CCC4(C)C3CCC12C

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.86
AlogP:	2.6	Num_rotatable_bonds:	2
MolWt:	348.48	Num_heavy_atoms:	25
TPSA:	77.76	NumAromaticRings:	0