GD143654

Name:

methyl 6-[(12a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:

C54H86O24

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5(O)CC(C)(C)CCC5C(=O)CC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:

CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0202899

AD51568

Formula: C29H46O3

Smiles:

CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.07	Num_rotatable_bonds:	0
MolWt:	442.68	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0