GD114636

Name:

4-(3a-hydroxy-7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-one

Formula:

C56H90O23

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0205422

AD01378

Formula: C23H34O4

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	3.6	Num_rotatable_bonds:	1
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	66.76	NumAromaticRings:	0