GD124649

Name:

15-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-14-ethylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10,16,20-tetraoxatetracyclo[21.2.2.1³,⁷.0¹³,¹⁸]octacosa-1(25),3(28),4,6,17,23,26-heptaene-11,19-dione

Formula:

C44H56O23

Smiles:

CC=C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3OC3OC(CO)C(O)C(O)C3O)CCOC(=O)CC21

Aglycone:

CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0192924

AD50368

Formula: C26H26O8

Smiles:

CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21

HBA:	8	RingCount:	5
HBD:	2	FractionCSP3:	0.31
AlogP:	3.55	Num_rotatable_bonds:	0
MolWt:	466.49	Num_heavy_atoms:	34
TPSA:	111.52	NumAromaticRings:	2