GD112380

Name:

17-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid

Formula:

C41H56O14

Smiles:

C[C@H]1C[C@]23OC(=O)C(=C2O)OC(=O)[C@@]2(C)[C@H](C=C[C@@H]4[C@@H]2CCC[C@H]4O[C@H]2C[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O2)CCCC/C=C/[C@H]3C=C1C(=O)O

Aglycone:

CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O

Sugarmoiety:

CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O

Other Identifiers

• ZINC000252514047
• CNP0086967

AD22945

Formula: C29H36O8

Smiles:

CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.62
AlogP:	4.36	Num_rotatable_bonds:	1
MolWt:	512.6	Num_heavy_atoms:	37
TPSA:	130.36	NumAromaticRings:	0