GD033366

Name:

None

Formula:

C71H102O28N4

Smiles:

CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](COC(C)=O)O[C@@H](n3cc(CNC(=O)[C@@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@]7(C)CC[C@H](O)C(C)(C)[C@H]7CC[C@@]6(C)[C@@]4(C)C[C@H]5O)nn3)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2386832

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06745

Formula: C33H51O3N4

Smiles:

CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	7	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	6.06	Num_rotatable_bonds:	3
MolWt:	551.8	Num_heavy_atoms:	40
TPSA:	108.38	NumAromaticRings:	0