GD020758

Name:

None

Formula:

C72H112O16N2

Smiles:

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6NC(=O)CCCCC(=O)N[C@H]6[C@H](O[C@@H]7CC[C@]8(C)C(=CC[C@@H]9[C@@H]8CC[C@@]8(C)[C@H]%10[C@H](C[C@H]98)O[C@]8(CC[C@H](C)CO8)[C@@H]%10C)C7)O[C@H](CO)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.NC(=O)CCCCC(N)=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL261457

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0

AD14280

Formula: C6H12O2N2

Smiles:

NC(=O)CCCCC(N)=O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.67
AlogP:	-0.48	Num_rotatable_bonds:	5
MolWt:	144.17	Num_heavy_atoms:	10
TPSA:	86.18	NumAromaticRings:	0