GD148629

Name:

6-({[5-({3,5-dimethoxy-6-methyl-4-[(3,4,5-trimethoxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trimethoxyoxan-2-yl 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:

C67H114O23

Smiles:

COCC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(OC)C(OC)C(C)(COC)C6CCC5(C)C3(C)CC4)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC2OCC(OC)C(OC)C2OC)C1OC

Aglycone:

COCC1(C)C(OC)C(OC)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:

COCC1OC(OCC2OC(O)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC2OCC(OC)C(OC)C2OC)C1OC

Other Identifiers

• CNP0326955

AD59462

Formula: C33H54O5

Smiles:

COCC1(C)C(OC)C(OC)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.91
AlogP:	7.14	Num_rotatable_bonds:	5
MolWt:	530.79	Num_heavy_atoms:	38
TPSA:	64.99	NumAromaticRings:	0