GD131505

Name:

16,26-diethyl-21,31-dihydroxy-11-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-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:

C55H84O14

Smiles:

CCC1=CC(CO)CC(C)C(OC2CC(O)C(OC3CC(OC)C(O)C(C)O3)C(C)O2)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

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:

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1O

Other Identifiers

• CNP0129298

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