GD149303

Name:

6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(4,5,6-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:

C53H84O24

Smiles:

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)CC(OC7CC(O)C(O)C(O)O7)C6(C)CCC45C)C3(C)CO)OC(C(=O)O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C(=O)O)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C1O.OC1CC(O)C(O)C(O)O1

Other Identifiers

• CNP0075990

AD49296

Formula: C30H48O5

Smiles:

CC1(C(=O)O)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0