Glycoside
GD121413
Name:
N-{2-[(6-{[2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazol-5-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-6-methyloxan-3-yl}acetamideFormula:
C26H44O14N4Smiles:
CC(O)=NC1C(OC2C(O)C3N=C(N(C)C)OC3C2CO)OC(CO)C(OC2OC(C)(CO)C(O)C(O)C2N=C(C)O)C1OAglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(C)(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -3.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.65 | Num_heavy_atoms: | 44 |
| TPSA: | 268.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
