GD130463

Name:

Alpindenoside D

Formula:

C34H52O15

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C4CC(C5=CC(=O)OC5)OC(O)C4CCC3C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)C(O)CCC2(C)C3CC(C4=CC(=O)OC4)OC(O)C3CCC12.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0290519

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD52874

Formula: C20H30O5

Smiles:

CC1(C)C(O)CCC2(C)C3CC(C4=CC(=O)OC4)OC(O)C3CCC12

HBA:	5	RingCount:	4
HBD:	2	FractionCSP3:	0.85
AlogP:	2.41	Num_rotatable_bonds:	1
MolWt:	350.46	Num_heavy_atoms:	25
TPSA:	75.99	NumAromaticRings:	0