GD115066

Name:

6-({6-[(4,5-dihydroxy-6-{[3,4,5-trihydroxy-6-({13-hydroxy-7,14-dimethoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)oxan-2-yl]methoxy}oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C38H44O27

Smiles:

COc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(COC5OCC(OC6OCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)cc4c(=O)oc1c2c34

Aglycone:

COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34

Sugarmoiety:

O=C(O)C1OC(OC2COC(OC3COC(OCC4OC(O)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0236810

AD09504

Formula: C16H10O8

Smiles:

COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34

HBA:	8	RingCount:	4
HBD:	2	FractionCSP3:	0.12
AlogP:	1.92	Num_rotatable_bonds:	2
MolWt:	330.25	Num_heavy_atoms:	24
TPSA:	119.34	NumAromaticRings:	4