GD026404

Name:

None

Formula:

C72H72O35

Smiles:

C[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)[C@H]3[C@H](C(=O)OC[C@@H]4O[C@H](O[C@@H]5[C@H](Oc6c(-c7ccc(O)c(O)c7)oc7cc(O)cc(O)c7c6=O)O[C@H](C)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)cc4)[C@H]3c3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O.CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL3918708

AD00022

Formula: C15H10O6

Smiles:

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.28	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	3

AD00377

Formula: C15H10O7

Smiles:

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.0
AlogP:	1.99	Num_rotatable_bonds:	1
MolWt:	302.24	Num_heavy_atoms:	22
TPSA:	131.36	NumAromaticRings:	3

AD05145

Formula: C20H20O6

Smiles:

COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1

HBA:	6	RingCount:	3
HBD:	2	FractionCSP3:	0.3
AlogP:	2.56	Num_rotatable_bonds:	4
MolWt:	356.37	Num_heavy_atoms:	26
TPSA:	93.06	NumAromaticRings:	2