GD155335

Name:

methylated rubupungenoside a

Formula:

C74H114O24

Smiles:

COCC1OC(OC(=O)C23CCC(C)C(C)(O)C2C2=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)OC%10OC(CO)C(O)C(O)C%10O)(CCC(C)C9(C)O)CCC78C)C6(CO)C(=O)OC)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O

Aglycone:

COC(=O)C1(CO)C(OC(=O)C2(C)C(O)C(O)CC3(C)C2CCC2(C)C3CC=C3C4C(C(=O)O)(CCC(C)C4(C)O)CCC32C)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

Sugarmoiety:

COCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0475913

AD61623

Formula: C61H92O14

Smiles:

COC(=O)C1(CO)C(OC(=O)C2(C)C(O)C(O)CC3(C)C2CCC2(C)C3CC=C3C4C(C(=O)O)(CCC(C)C4(C)O)CCC32C)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

HBA:	14	RingCount:	10
HBD:	8	FractionCSP3:	0.87
AlogP:	8.02	Num_rotatable_bonds:	6
MolWt:	1049.39	Num_heavy_atoms:	75
TPSA:	248.58	NumAromaticRings:	0