GD136816

Name:

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

Formula:

C55H90O23

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(COC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0348340

AD45662

Formula: C30H50O3

Smiles:

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

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	1
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0