GD144775

Name:

{6-[(6-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:

C45H72O16

Smiles:

CC(=O)OCC1OC(OC2CC3C4(C)CC(O)C(C5(C)CCC(C(C)(C)O)O5)C4(C)CCC34CC43CCC(OC4OCC(O)C(O)C4OC(C)=O)C(C)(C)C23)C(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OCC(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0171094

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

AD04921

Formula: C30H50O5

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.44	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0