GD122070

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 10,11-bis(acetyloxy)-9,9-bis[(acetyloxy)methyl]-1-hydroxy-1,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:

C52H74O20

Smiles:

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

Aglycone:

CC(=O)OCC1(COC(C)=O)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0314067

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

AD49171

Formula: C38H56O11

Smiles:

CC(=O)OCC1(COC(C)=O)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

HBA:	11	RingCount:	5
HBD:	2	FractionCSP3:	0.82
AlogP:	5.4	Num_rotatable_bonds:	7
MolWt:	688.86	Num_heavy_atoms:	49
TPSA:	162.73	NumAromaticRings:	0