GD148446

Name:

[3,4-bis(acetyloxy)-5-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-[(15-{6-[(4,5-dimethyl-2-oxooxolan-3-yl)carbamoyl]-6-methylhexa-3,5-dien-2-yl}-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl)oxy]oxan-2-yl]methyl acetate

Formula:

C72H103O27N

Smiles:

CC(=O)OCC1OC(OC2C(OC3CCC45CC46CCC4(C)C(C(C)C=CC=C(C)C(O)=NC7C(=O)OC(C)C7C)CCC4(C)C6CCC5C3(C)C)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)OC(O)C(OC(C)=O)C3OC(C)=O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0147090

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

AD50665

Formula: C36H55O4N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.83
AlogP:	7.83	Num_rotatable_bonds:	5
MolWt:	565.84	Num_heavy_atoms:	41
TPSA:	79.12	NumAromaticRings:	0