GD128566

Name:

({1,5,8,9,10,15,17,20,22,26,30,34-dodecahydroxy-13,28-dimethyl-35-[3-methyl-3'-(1,6,10,13-tetrahydroxy-9-methyltrideca-3,7,11-trien-1-yl)-[2,2'-bioxiran]-3-yl]pentatriaconta-3,11,18,24,28,32-hexaen-7-yl}oxy)sulfonic acid

Formula:

C56H92O22S

Smiles:

CC(=CC(O)CC=CC(O)CC1(C)OC1C1OC1C(O)CC=CCC(O)C=CC(C)C(O)C=CCO)CC(O)C=CCC(O)CC(O)C=CC(O)CC(O)CC(C)C=CC(O)C(O)C(O)C(CC(O)C=CCCO)OS(=O)(=O)O

Aglycone:

C=CC(C)CC(O)CC(O)C=CC(O)CC(O)CC=CC(O)CC(C)=CC(O)CC=CC(O)CC1(C)OC1C1OC1C(O)CC=CCC(O)C=CC(C)C(O)C=CCO.CC(O)C=CCCO

Sugarmoiety:

O=S(=O)(O)OC(O)C(O)C(O)C(O)O

Other Identifiers

• CNP0280137

AD52076

Formula: C46H74O13

Smiles:

C=CC(C)CC(O)CC(O)C=CC(O)CC(O)CC=CC(O)CC(C)=CC(O)CC=CC(O)CC1(C)OC1C1OC1C(O)CC=CCC(O)C=CC(C)C(O)C=CCO

HBA:	13	RingCount:	2
HBD:	11	FractionCSP3:	0.65
AlogP:	2.77	Num_rotatable_bonds:	31
MolWt:	835.09	Num_heavy_atoms:	59
TPSA:	247.59	NumAromaticRings:	0

AD52077

Formula: C6H12O2

Smiles:

CC(O)C=CCCO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	0.31	Num_rotatable_bonds:	3
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	40.46	NumAromaticRings:	0