Glycoside
GD149846
Name:
N-{2-[(1,4-diamino-2,5,6-trihydroxyhexan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}propanamideFormula:
C15H31O9N3Smiles:
CCC(O)=NC1C(OC(C(O)CN)C(N)C(O)CO)OC(CO)C(O)C1OAglycone:
CCC(=N)O.NCC(O)C(O)C(N)C(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 397.43 | Num_heavy_atoms: | 27 |
| TPSA: | 224.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD02390
Formula: C6H16O4N2
Smiles:
NCC(O)C(O)C(N)C(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.2 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
AD52208
Formula: C3H7ON
Smiles:
CCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
