GD129279

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 10,11-bis(acetyloxy)-1-{[3-(acetyloxy)but-2-enoyl]oxy}-9-[(acetyloxy)methyl]-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:

C56H78O21

Smiles:

CC(=O)OCC1OC(OC(=O)C23CCC(C)(C)C(OC(=O)C=C(C)OC(C)=O)C2C2=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(COC(C)=O)C5CCC4(C)C2(C)CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(OC(=O)C=C(C)OC(C)=O)C(C)(C)CCC3(C(=O)O)CCC21C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0220163

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

AD52377

Formula: C42H60O12

Smiles:

CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(OC(=O)C=C(C)OC(C)=O)C(C)(C)CCC3(C(=O)O)CCC21C

HBA:	12	RingCount:	5
HBD:	1	FractionCSP3:	0.76
AlogP:	6.88	Num_rotatable_bonds:	8
MolWt:	756.93	Num_heavy_atoms:	54
TPSA:	168.8	NumAromaticRings:	0