GD153843

Name:

5-{[6-({4,5-dihydroxy-2-[(4-hydroxy-6-{[8-hydroxy-8a,11-bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula:

C58H94O26

Smiles:

CC(O)(CC(=O)O)CC(=O)OC1COC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)CCC7(CO)C(O)CC56C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C1O

Aglycone:

CC(O)(CC(=O)O)CC(=O)O.CC1(CO)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0197138

AD17237

Formula: C6H10O5

Smiles:

CC(O)(CC(=O)O)CC(=O)O

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.67
AlogP:	-0.31	Num_rotatable_bonds:	4
MolWt:	162.14	Num_heavy_atoms:	11
TPSA:	94.83	NumAromaticRings:	0

AD18468

Formula: C30H50O4

Smiles:

CC1(CO)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	2
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0