GD131480

Name:

4-hydroxy-15-({5-hydroxy-3-methoxy-4-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,8,8,14-tetramethyl-9-(7-methylocta-1,3,5-trien-1-yl)-10,17,18-trioxatricyclo[11.3.1.1⁴,⁷]octadecane-3,11-dione

Formula:

C43H68O15

Smiles:

COC1C(C)OC(OC2C(O)COC(OC3CC4CC(=O)C5(O)OC(CC5C)C(C)(C)C(C=CC=CC=CC(C)C)OC(=O)CC(O4)C3C)C2OC)C(OC)C1OC

Aglycone:

CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C

Sugarmoiety:

COC1C(C)OC(OC2C(O)COC(O)C2OC)C(OC)C1OC

Other Identifiers

• CNP0214603

AD16283

Formula: C28H42O7

Smiles:

CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.71
AlogP:	3.88	Num_rotatable_bonds:	4
MolWt:	490.64	Num_heavy_atoms:	35
TPSA:	102.29	NumAromaticRings:	0