GD155024

Name:

2-({9,10-dihydroxy-4,4,11,11-tetramethyl-8-oxo-8a-[({4,5,6-trihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,5,6-trihydroxyoxan-4-yl 2-methylbut-2-enoate

Formula:

C47H72O21

Smiles:

CC=C(C)C(=O)OC1C(O)C(O)OC(OC2CCC3C4CC=C5C(CC(=O)C6(COC7OC(O)C(O)C(O)C7OC7OC(O)C(O)C(O)C7O)C5CC(C)(C)C(O)C6O)C4CCC3C2(C)C)C1O

Aglycone:

CC1(C)CC2C3=CCC4C(CCC5C4CCC(O)C5(C)C)C3CC(=O)C2(CO)C(O)C1O.CC=C(C)C(=O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0080707

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

AD61527

Formula: C27H42O5

Smiles:

CC1(C)CC2C3=CCC4C(CCC5C4CCC(O)C5(C)C)C3CC(=O)C2(CO)C(O)C1O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.89
AlogP:	3.09	Num_rotatable_bonds:	1
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	97.99	NumAromaticRings:	0