GD114608

Name:

6-({8a-[(acetyloxy)methyl]-8,9-dihydroxy-10-({3-hydroxy-6-methyl-4,5-bis[(2-methylbut-2-enoyl)oxy]oxan-2-yl}oxy)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-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)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C66H102O28

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(O)C3(COC(C)=O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CC

Aglycone:

CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O.CC=C(C)C(=O)O.CC=C(C)C(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0176700

AD00342

Formula: C5H8O2

Smiles:

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

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.04	Num_rotatable_bonds:	1
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD07962

Formula: C32H52O7

Smiles:

CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	0.91
AlogP:	3.6	Num_rotatable_bonds:	3
MolWt:	548.76	Num_heavy_atoms:	39
TPSA:	127.45	NumAromaticRings:	0