GD128347

Name:

[3,5-bis(acetyloxy)-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-methoxyoxan-2-yl]oxy}-6-{[4,5-bis(acetyloxy)-6-{[19-(2-hydroxy-6-methylhept-6-en-2-yl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo[14.2.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰]nonadec-3-en-8-yl]oxy}oxan-3-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C64H92O26

Smiles:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4CCC5C(C)(CCC(OC6OCC(OC7OC(COC(C)=O)C(OC(C)=O)C(OC8OC(COC(C)=O)C(OC(C)=O)C(OC)C8OC(C)=O)C7OC(C)=O)C(OC(C)=O)C6OC(C)=O)C5(C)C)C4=CCC13C(=O)O2

Aglycone:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4CCC5C(C)(CCC(O)C5(C)C)C4=CCC13C(=O)O2.COC(C)=O.COC(C)=O

Sugarmoiety:

COC1C(OC(C)=O)C(COC(C)=O)OC(OC2OC(O)OC(OC3COC(O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0103464

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

AD51987

Formula: C30H46O4

Smiles:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4CCC5C(C)(CCC(O)C5(C)C)C4=CCC13C(=O)O2

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	5.97	Num_rotatable_bonds:	5
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0