GD022436

Name:

None

Formula:

C72H95O22N3

Smiles:

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)N[C@H](Cc7ccc(O)cc7)C(=O)OC)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)OC)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C(Cc1ccc(O)cc1)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(Cc1ccc(O)cc1)NC=O.COC(=O)C(Cc1ccc(O)cc1)NC=O

Sugarmoiety:

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3400544

AD04826

Formula: C11H13O4N

Smiles:

COC(=O)C(Cc1ccc(O)cc1)NC=O

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.27
AlogP:	0.22	Num_rotatable_bonds:	5
MolWt:	223.23	Num_heavy_atoms:	16
TPSA:	75.63	NumAromaticRings:	1

AD15212

Formula: C40H57O6N

Smiles:

COC(=O)C(Cc1ccc(O)cc1)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	7	RingCount:	6
HBD:	3	FractionCSP3:	0.72
AlogP:	6.93	Num_rotatable_bonds:	5
MolWt:	647.9	Num_heavy_atoms:	47
TPSA:	112.93	NumAromaticRings:	1