GD012088

Name:

None

Formula:

C84H141O28N3

Smiles:

CO[C@H]1[C@@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O)[C@@H](C)C[C@@H](CCNCC[C@@H]2C[C@H](C)[C@H](O)C=CC=CC[C@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H]2OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@@H]1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)CC(=O)O.CC(C)CC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCNCCC2CC(C)C(O)C=CC=CCC(C)OC(=O)CC(OC(C)=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

• CHEMBL415842

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD09135

Formula: C44H71O14N

Smiles:

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

HBA:	15	RingCount:	2
HBD:	5	FractionCSP3:	0.73
AlogP:	3.65	Num_rotatable_bonds:	10
MolWt:	838.05	Num_heavy_atoms:	59
TPSA:	216.61	NumAromaticRings:	0