GD114944

Name:

2-{[2-({5-[4-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C49H82O23

Smiles:

C=CC(C)(CCC1(C)C(C)CC(OC2OC(C)C(O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C2(C)C(C)=CCCC12)OC1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12

Sugarmoiety:

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

Other Identifiers

• CNP0190365

AD12492

Formula: C20H34O2

Smiles:

C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.8
AlogP:	4.47	Num_rotatable_bonds:	4
MolWt:	306.49	Num_heavy_atoms:	22
TPSA:	40.46	NumAromaticRings:	0