GD012688

Name:

None

Formula:

C50H82O17

Smiles:

COC(=O)C12CCC(C)(C)CC1C1=CCC3[C@]4(C)CCC(OC5OC(CCOCCC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C(O)C5O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)C[C@H]2O

Aglycone:

CCOCC.COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O

Sugarmoiety:

OOC(O)C(O)OOCOCCC1OCC(O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

• CHEMBL168713

AD05690

Formula: C31H50O4

Smiles:

COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2O

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.29	Num_rotatable_bonds:	1
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	66.76	NumAromaticRings:	0

AD09543

Formula: C4H10O

Smiles:

CCOCC

HBA:	1	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	1.04	Num_rotatable_bonds:	2
MolWt:	74.12	Num_heavy_atoms:	5
TPSA:	9.23	NumAromaticRings:	0