GD116395

Name:

6-hydroxy-7-{[5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4b-methyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-one

Formula:

C52H80O23

Smiles:

COC1CC(OC2CC3=CCC4C(=O)C(c5ccoc5C)CCC4C3(C)CC2O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0093179

AD46211

Formula: C20H26O4

Smiles:

Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.65
AlogP:	3.12	Num_rotatable_bonds:	1
MolWt:	330.42	Num_heavy_atoms:	24
TPSA:	70.67	NumAromaticRings:	1