GD130796

Name:

10-{[4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-17-en-22-one

Formula:

C47H74O18

Smiles:

CC1OC(OC2C(OC3C(O)C(CO)OC(OC4CCC5(C)C(CCC6(C)C5C(O)CC5=C7C8(CCC(C)(OC8=O)C7(C)O)CCC56C)C4(C)C)C3O)OCC(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0149720

AD00503

Formula: C30H46O5

Smiles:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

HBA:	5	RingCount:	7
HBD:	3	FractionCSP3:	0.9
AlogP:	4.91	Num_rotatable_bonds:	0
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0