GD138241

Name:

Albinoside_Ix

Formula:

C51H84O21

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3C4OC(CO)C(O)C3OC(=O)CCCCCCCCCC(CCCCCC)OC3OC(C)C(O)C(O)C3O4)C(OC(=O)C(C)=CC)C2O)C(O)C1O

Aglycone:

CC=C(C)C(=O)O.CC=C(C)C(=O)O.CCCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0080297

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

AD55823

Formula: C29H52O11

Smiles:

CCCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

HBA:	11	RingCount:	3
HBD:	5	FractionCSP3:	0.97
AlogP:	2.07	Num_rotatable_bonds:	6
MolWt:	576.72	Num_heavy_atoms:	40
TPSA:	164.37	NumAromaticRings:	0