GD131802

Name:

2-{[6-({2-[(14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl)oxy]-3,5-dihydroxy-6-methyloxan-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-methyloxan-3-yl 4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate

Formula:

C76H124O33

Smiles:

C=CC(C)(CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)OC1C(OCC2OC(OC3C(O)C(C)OC(OCC(C)=CCCC(C)=CCCC(C)=CCCC(C)(C=C)OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)OC(C)C(O)C1O)OC1OC(CO)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO

Sugarmoiety:

CC1OC(OCC2OC(OC3C(O)C(C)OC(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0193800

AD03073

Formula: C20H34O2

Smiles:

C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	5.1	Num_rotatable_bonds:	11
MolWt:	306.49	Num_heavy_atoms:	22
TPSA:	40.46	NumAromaticRings:	0

AD45777

Formula: C20H32O4

Smiles:

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

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.55
AlogP:	4.16	Num_rotatable_bonds:	11
MolWt:	336.47	Num_heavy_atoms:	24
TPSA:	77.76	NumAromaticRings:	0