GD158122

Name:

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

Formula:

C55H88O20

Smiles:

CCC1=C(O)C(=O)C2C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)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:

CCC1=C(O)C(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

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

Other Identifiers

• CNP0130291

AD59015

Formula: C21H30O3

Smiles:

CCC1=C(O)C(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.76
AlogP:	4.32	Num_rotatable_bonds:	1
MolWt:	330.47	Num_heavy_atoms:	24
TPSA:	57.53	NumAromaticRings:	0