GD147575

Name:

14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-19-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione

Formula:

C39H32O26

Smiles:

O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4C2OC(O)(CO)C(O)C2O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

Aglycone:

O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

Sugarmoiety:

OCC1(O)OC(O)C(O)C1O

Other Identifiers

• CNP0276454

AD46658

Formula: C34H24O21

Smiles:

O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

HBA:	21	RingCount:	8
HBD:	13	FractionCSP3:	0.18
AlogP:	0.87	Num_rotatable_bonds:	1
MolWt:	768.55	Num_heavy_atoms:	55
TPSA:	368.19	NumAromaticRings:	4