GD153251

Name:

None

Formula:

C67H83O39

Smiles:

COc1cc(C=CC(=O)OCC2OC(Oc3cc(O)c4c(c3)OC(c3ccc(O)c(OC5OC(C[OH2+])C(O)C(O)C5O)c3)C(OC3OC(COC5OC(COC(=O)C=Cc6cc(OC)c(O)c(OC)c6)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C(O)C3O)=C4)C(O)C(O)C2O)cc(OC)c1O

Aglycone:

COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1

Sugarmoiety:

OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0473920

AD03982

Formula: C12H14O5

Smiles:

COC(=O)C=Cc1cc(OC)c(O)c(OC)c1

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.25
AlogP:	1.6	Num_rotatable_bonds:	4
MolWt:	238.24	Num_heavy_atoms:	17
TPSA:	64.99	NumAromaticRings:	1

AD44975

Formula: C15H12O6

Smiles:

OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1

HBA:	6	RingCount:	3
HBD:	5	FractionCSP3:	0.07
AlogP:	2.54	Num_rotatable_bonds:	1
MolWt:	288.25	Num_heavy_atoms:	21
TPSA:	110.38	NumAromaticRings:	2