GD116411

Name:

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

Formula:

C58H92O23

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(C)=O)C7(C)C(O)(C(C)=O)CCC87O)C6)OC5C)CC4OC(C)=O)CC3OC)CC2OC)OC(C)C1O

Aglycone:

CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(O)OC5C)CC4OC(C)=O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CNP0305993

AD08160

Formula: C23H34O7

Smiles:

CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.83
AlogP:	1.4	Num_rotatable_bonds:	2
MolWt:	422.52	Num_heavy_atoms:	30
TPSA:	124.29	NumAromaticRings:	0