GD146438

Name:

[3,4-bis(acetyloxy)-6-{[16-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl acetate

Formula:

C52H82O22

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(O)CC(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C

Aglycone:

COC(C)=O.COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0309940

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

AD45737

Formula: C28H46O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.29	Num_rotatable_bonds:	5
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0