GD114395

Name:

15,19-dihydroxy-10-[(5-hydroxy-4-{[5-hydroxy-6-(hydroxymethyl)-4-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-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:

C54H86O22

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(O)CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(C)C2OC2OC(CO)C(O)C(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(O)OCC(O)C2OC2OC(CO)C(O)C(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0206419

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