GD133757

Name:

6-{[4-(acetyloxy)-10-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl]oxy}-5-hydroxy-2-methyl-4-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoate

Formula:

C66H104O25

Smiles:

CC=C(C)C(=O)OC1C(C)OC(OC2C(OC(C)=O)C3(CO)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CC

Aglycone:

CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC21CO.CC=C(C)C(=O)O.CC=C(C)C(=O)O

Sugarmoiety:

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

Other Identifiers

• CNP0215103

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

AD54120

Formula: C32H52O5

Smiles:

CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC21CO

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.91
AlogP:	5.65	Num_rotatable_bonds:	2
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	86.99	NumAromaticRings:	0