GD021931

Name:

None

Formula:

C78H133O26N3

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@H](CCNCC[C@@H]4C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](O)[C@@H](OC)[C@H]4OC4OC(C)C(OC5CC(C)(O)C(OC(=O)CCC)C(C)O5)C(N(C)C)C4O)C[C@H](C)[C@H](O)C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@@H]3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCCC(=O)O.CCCC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCNCCC2CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C(OC)C2O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL265488

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD14925

Formula: C40H67O12N

Smiles:

COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCNCCC2CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C(OC)C2O)C1O

HBA:	13	RingCount:	2
HBD:	7	FractionCSP3:	0.75
AlogP:	2.51	Num_rotatable_bonds:	8
MolWt:	753.97	Num_heavy_atoms:	53
TPSA:	204.47	NumAromaticRings:	0