GD128028

Name:

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

Formula:

C55H86O23

Smiles:

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(CCC7C6CC(O)C6(C)C(C8=CC(=O)OC8)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0158071

AD02796

Formula: C23H34O5

Smiles:

CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O

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