GD155627

Name:

2-hydroxy-4,5,9,9,13,20,20-heptamethyl-10-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-en-23-one

Formula:

C41H64O13

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0169838

AD04468

Formula: C30H46O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0