GD144892

Name:

10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-16,19-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:

C47H74O19

Smiles:

CC1(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

Aglycone:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)COC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0312119

AD08875

Formula: C30H46O5

Smiles:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=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