GD018288

Name:

None

Formula:

C40H68O34N4S6

Smiles:

CO[C@H]1O[C@@H](COCC(=O)N(CC(=O)NC2CCCCC2)[C@H]2CC[C@@H](N(CC(=O)NC3CCCCC3)C(=O)COC[C@H]3O[C@@H](OC)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)CC2)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:

COCC(=O)N(CC(=O)NC1CCCCC1)C1CCC(N(CC(=O)NC2CCCCC2)C(=O)COC)CC1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

COC1OC(O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3306748

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD07532

Formula: C28H48O6N4

Smiles:

COCC(=O)N(CC(=O)NC1CCCCC1)C1CCC(N(CC(=O)NC2CCCCC2)C(=O)COC)CC1

HBA:	10	RingCount:	3
HBD:	2	FractionCSP3:	0.86
AlogP:	2.15	Num_rotatable_bonds:	12
MolWt:	536.71	Num_heavy_atoms:	38
TPSA:	117.28	NumAromaticRings:	0