GD135808

Name:

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

Formula:

C53H84O24

Smiles:

CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O

Sugarmoiety:

CC1OC(O)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0317446

AD06461

Formula: C23H34O5

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.87
AlogP:	2.58	Num_rotatable_bonds:	1
MolWt:	390.52	Num_heavy_atoms:	28
TPSA:	86.99	NumAromaticRings:	0