GD039415

Name:

(2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate

Formula:

C42H69O15N

Smiles:

CO[C@H]1[C@@H](OC(C)=O)CC(=O)O[C@@H](C)C=CC=CC[C@@H](O)[C@H](C)C[C@@H](CC=O)[C@H]1O[C@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@@H](OC(=O)CC(C)C)[C@@H](C)O2)[C@H](N(C)C)[C@@H]1O

Aglycone:

CC(C)CC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)C=CC=CCC(O)C(C)CC(CC=O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• JOS

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD24396

Formula: C22H34O8

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)C=CC=CCC(O)C(C)CC(CC=O)C1O

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.68
AlogP:	1.72	Num_rotatable_bonds:	4
MolWt:	426.51	Num_heavy_atoms:	30
TPSA:	119.36	NumAromaticRings:	0