GD011039

Name:

11-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3-hydroxy-4-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-16,26-diethyl-21,31-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.0¹,⁶.0¹⁷,²⁶.0²⁰,²⁵]hentriaconta-4,15,18,28(31)-tetraene-23,27,29-trione

Formula:

C61H94O18

Smiles:

CCC1=C[C@H](CO)C[C@H](C)[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](OC)[C@H]3O)[C@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C3O)C(=O)[C@]2(CC)[C@H]1C(C)=C[C@H]1[C@H]2[C@@H](C)C(=O)C[C@H]1O

Aglycone:

CCC1=CC(CO)CC(C)C(O)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C3O)C(=O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12

Sugarmoiety:

COC1C(O)C(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(O)C(O)C(C)O1

Other Identifiers

• CHEMBL3576921
• CNP0351142

AD04777

Formula: C42H62O8

Smiles:

CCC1=CC(CO)CC(C)C(O)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C3O)C(=O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12

HBA:	8	RingCount:	5
HBD:	4	FractionCSP3:	0.74
AlogP:	6.98	Num_rotatable_bonds:	3
MolWt:	694.95	Num_heavy_atoms:	50
TPSA:	141.36	NumAromaticRings:	0