GD005325

Name:

None

Formula:

C64H95O27N3

Smiles:

CO[C@H](C(=O)N(CCN(C)C)C(=O)[C@H](N)CCC(=O)O)[C@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@@H](OC)[C@H](C)O5)[C@H](OC(C)=O)[C@@H](C)O4)cc(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

CC(C)C(=O)O.COC(C(=O)N(CCN(C)C)C(=O)C(N)CCC(=O)O)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

• CHEMBL1927074

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD04541

Formula: C26H33O10N3

Smiles:

COC(C(=O)N(CCN(C)C)C(=O)C(N)CCC(=O)O)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O

HBA:	13	RingCount:	3
HBD:	7	FractionCSP3:	0.46
AlogP:	-0.2	Num_rotatable_bonds:	10
MolWt:	547.56	Num_heavy_atoms:	39
TPSA:	211.16	NumAromaticRings:	2