GD121463

Name:

13-({3-[(3,4-dihydroxy-6-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-hydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

Formula:

C33H38O22

Smiles:

COc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(CO)C(O)C4OC4OC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)cc4c(=O)oc1c2c34

Aglycone:

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

Sugarmoiety:

COC1OC(OC2C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0137446

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