GD137797

Name:

1-[11-(acetyloxy)-1,3a-dihydroxy-7-({4-hydroxy-5-[(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}-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-methylbutanoate

Formula:

C62H104O22

Smiles:

CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(OC)C(OC7CC(OC)C(OC8CC(OC)C(OC9CC(OC)C(O)C(C)O9)C(C)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C

Aglycone:

CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

Sugarmoiety:

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

Other Identifiers

• CNP0129903

AD45352

Formula: C28H46O7

Smiles:

CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	3.76	Num_rotatable_bonds:	5
MolWt:	494.67	Num_heavy_atoms:	35
TPSA:	113.29	NumAromaticRings:	0