GD131202

Name:

1-ethyl-7-[(5-{[5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-3-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetate

Formula:

C56H90O21

Smiles:

CCC1C(OC(C)=O)C(=O)C2C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(CO)C(O)C(O)C9O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12C

Aglycone:

CCC1C(OC(C)=O)C(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0298884

AD53163

Formula: C23H34O4

Smiles:

CCC1C(OC(C)=O)C(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	4	RingCount:	4
HBD:	1	FractionCSP3:	0.83
AlogP:	4.06	Num_rotatable_bonds:	2
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	63.6	NumAromaticRings:	0