GD151214

Name:

10-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-2-yl acetate

Formula:

C56H90O23

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(OC5OC(C)C(O)C(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23

Aglycone:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0210868

AD60328

Formula: C32H50O5

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.91
AlogP:	5.67	Num_rotatable_bonds:	2
MolWt:	514.75	Num_heavy_atoms:	37
TPSA:	75.99	NumAromaticRings:	0