GD148257

Name:

6-{[8a-({[3-({3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyl-5-({10-oxo-3,16-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadecanoyl}oxy)oxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C92H150O43

Smiles:

CC1OC(OCCCCCCC(=O)CCCCCCC(CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3OC3OCC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0085619

AD00309

Formula: C30H48O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.2	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0

AD59336

Formula: C16H30O5

Smiles:

O=C(O)CC(O)CCCCCCC(=O)CCCCCCO

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.88
AlogP:	2.67	Num_rotatable_bonds:	15
MolWt:	302.41	Num_heavy_atoms:	21
TPSA:	94.83	NumAromaticRings:	0