GD152884

Name:

8a-({[3-({5-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-5-{[3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}carbonyl)-2-hydroxy-4,6a,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:

C69H102O31

Smiles:

COc1ccc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC5C(=CCC6C5(C)CCC5C6(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C5(C)C(=O)O)C3CC(C)(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)cc1OC

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1.COc1ccc(C=CC(=O)O)cc1OC

Sugarmoiety:

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0308016

AD09650

Formula: C11H12O4

Smiles:

COc1ccc(C=CC(=O)O)cc1OC

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.8	Num_rotatable_bonds:	4
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD47314

Formula: C29H44O6

Smiles:

CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.86
AlogP:	4.88	Num_rotatable_bonds:	2
MolWt:	488.67	Num_heavy_atoms:	35
TPSA:	115.06	NumAromaticRings:	0