GD141504

Name:

None

Formula:

C60H86O27N4

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(N(C)C)C(O)C5Oc6c(ccc7c6C(=O)c6c(O)c8c(c(O)c6C7=O)C(OC6CC(N(C)C)C(O)C(C)O6)CC(C)(O)C8)C4(C)O5)CC3(OC)N(O)O)CC2(C)N(O)O)OC(C)C1OC(=O)CCC(=O)O

Aglycone:

CC1OC(O)CC(C)(N(O)O)C1O.CC1OC(OC2CC(C)(O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)CC(N(C)C)C1O.O=C(O)CCC(=O)O

Sugarmoiety:

COC1(N(O)O)CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0463118

AD05635

Formula: C4H6O4

Smiles:

O=C(O)CCC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.06	Num_rotatable_bonds:	3
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	74.6	NumAromaticRings:	0

AD47859

Formula: C7H15O5N

Smiles:

CC1OC(O)CC(C)(N(O)O)C1O

HBA:	6	RingCount:	1
HBD:	4	FractionCSP3:	1.0
AlogP:	-0.69	Num_rotatable_bonds:	1
MolWt:	193.2	Num_heavy_atoms:	13
TPSA:	93.39	NumAromaticRings:	0

AD56997

Formula: C35H44O12N2

Smiles:

CC1OC(OC2CC(C)(O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)CC(N(C)C)C1O

HBA:	14	RingCount:	7
HBD:	6	FractionCSP3:	0.6
AlogP:	0.67	Num_rotatable_bonds:	4
MolWt:	684.74	Num_heavy_atoms:	49
TPSA:	198.92	NumAromaticRings:	2