Glycoside
GD157332
Name:
N-[6-({6-[6-(butan-2-yl)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1â´,â¸.0²â°,²â´]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]acetamideFormula:
C50H75O14NSmiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(N=C(C)O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.COC1CC(O)OC(C)C1N=C(C)OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 914.14 | Num_heavy_atoms: | 65 |
| TPSA: | 182.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00521
Formula: C34H48O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD62212
Formula: C9H17O4N
Smiles:
COC1CC(O)OC(C)C1N=C(C)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.24 | Num_heavy_atoms: | 14 |
| TPSA: | 71.28 | NumAromaticRings: | 0 |
