GD126234

Name:

2-({[5-(3,4-dimethoxybenzoyloxy)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methoxy}methyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dimethoxybenzoate

Formula:

C48H58O25

Smiles:

COc1ccc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COCC45OC4C(OC(=O)c4ccc(OC)c(OC)c4)C4C=COC(OC6OC(CO)C(O)C(O)C6O)C45)OC23)cc1OC

Aglycone:

COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COCC45OC4C(OC(=O)c4ccc(OC)c(OC)c4)C4C=COC(O)C45)OC23)cc1OC

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0258685

AD51068

Formula: C36H38O15

Smiles:

COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COCC45OC4C(OC(=O)c4ccc(OC)c(OC)c4)C4C=COC(O)C45)OC23)cc1OC

HBA:	15	RingCount:	8
HBD:	2	FractionCSP3:	0.5
AlogP:	1.98	Num_rotatable_bonds:	12
MolWt:	710.69	Num_heavy_atoms:	51
TPSA:	182.73	NumAromaticRings:	2