GD157640

Name:

2-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}carbonyl)-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-(acetyloxy)-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylic acid

Formula:

C64H90O25

Smiles:

CC(=O)OCC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)=CC(OC7OC(C)C(OC(C)=O)C(OC(C)=O)C7OC(C)=O)C6OC(C)=O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1C(O)C=C(C(=O)O)OC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0187715

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD62306

Formula: C38H56O9

Smiles:

CC(=O)OC1C(O)C=C(C(=O)O)OC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C

HBA:	9	RingCount:	6
HBD:	3	FractionCSP3:	0.82
AlogP:	6.88	Num_rotatable_bonds:	5
MolWt:	656.86	Num_heavy_atoms:	47
TPSA:	139.59	NumAromaticRings:	0