GD118352

Name:

8a-[({3-[(5-{[5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-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:

C60H94O29

Smiles:

CC(=O)OCC1OC(OC2COC(OC3C(C)OC(OC4C(OC(=O)C56CCC7C(=CCC8C7(C)CCC7C8(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C7(C)C(=O)O)C5CC(C)(C)CC6)OC(C)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0131301

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

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