GD014250

Name:

None

Formula:

C40H76O13N2S

Smiles:

CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CSCCO)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O.CSCCO

Sugarmoiety:

COC1(C)CC(O)OC(C)C1(O)O

Other Identifiers

• CHEMBL2114270
• CHEMBL330749

AD00579

Formula: C29H56O9N2

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.97
AlogP:	0.63	Num_rotatable_bonds:	4
MolWt:	576.77	Num_heavy_atoms:	40
TPSA:	161.18	NumAromaticRings:	0

AD03642

Formula: C3H8OS

Smiles:

CSCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.34	Num_rotatable_bonds:	2
MolWt:	92.16	Num_heavy_atoms:	5
TPSA:	20.23	NumAromaticRings:	0