GD020661

Name:

6,11,18-trihydroxy-3,20-dimethyl-9,16-bis[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-12-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²¹]henicosa-1(20),2,5(10),6,8,13,15,17(21),18-nonaen-4-one

Formula:

C44H52O25

Smiles:

CC1=C2c3c(C)cc(O)c4c(O[C@@H]5O[C@H](CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)ccc(c34)OC2(O)c2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)ccc(O)c2C1=O

Aglycone:

CC1=C2c3c(C)cc(O)c4c(O)ccc(c34)OC2(O)c2c(O)ccc(O)c2C1=O

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL444479
• CNP0311359

AD14236

Formula: C22H16O7

Smiles:

CC1=C2c3c(C)cc(O)c4c(O)ccc(c34)OC2(O)c2c(O)ccc(O)c2C1=O

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	0.14
AlogP:	3.18	Num_rotatable_bonds:	0
MolWt:	392.36	Num_heavy_atoms:	29
TPSA:	127.45	NumAromaticRings:	3