GD022443

Name:

None

Formula:

C78H124O35N4S2I2

Smiles:

CCNC1COC(OC2C(OCCOCCOC3OC(C)C(NOC4CC(O)C(SC(=O)c5c(C)c(I)c(OC6OC(C)C(O)C(OC)C6O)c(OC)c5OC)C(C)O4)C(O)C3OC3CC(OC)C(NCC)CO3)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC

Aglycone:

CCNC1COC(O)CC1OC.CCNC1COC(O)CC1OC.COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC.COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC.OCCOCCO

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.COC1C(O)C(C)OC(O)C1O.COC1C(O)C(C)OC(O)C1O

Other Identifiers

• CHEMBL411988

AD01087

Formula: C8H17O3N

Smiles:

CCNC1COC(O)CC1OC

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.28	Num_rotatable_bonds:	3
MolWt:	175.23	Num_heavy_atoms:	12
TPSA:	50.72	NumAromaticRings:	0

AD01089

Formula: C16H22O7NSI

Smiles:

COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.56
AlogP:	1.95	Num_rotatable_bonds:	5
MolWt:	499.32	Num_heavy_atoms:	26
TPSA:	120.47	NumAromaticRings:	1

AD15214

Formula: C4H10O3

Smiles:

OCCOCCO

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.01	Num_rotatable_bonds:	4
MolWt:	106.12	Num_heavy_atoms:	7
TPSA:	49.69	NumAromaticRings:	0