Glycoside
GD116859
Name:
N-(6-{2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl}-2-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl)-11-methyldodec-2-enamideFormula:
C36H60O16N4Smiles:
CC(O)=NC1C(OC2OC(CC(O)C3OC(N4CCC(O)=NC4=O)C(O)C3O)C(O)C(O)C2N=C(O)C=CCCCCCCCC(C)C)OC(CO)C(O)C1OAglycone:
CC(C)CCCCCCCC=CC(=N)O.O=C1N=C(O)CCN1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 18 |
| MolWt: | 804.89 | Num_heavy_atoms: | 56 |
| TPSA: | 316.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45212
Formula: C4H6O2N2
Smiles:
O=C1N=C(O)CCN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
AD46492
Formula: C13H25ON
Smiles:
CC(C)CCCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 211.35 | Num_heavy_atoms: | 15 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
