Glycoside
GD039809
Name:
n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamideFormula:
C23H43O8N5Smiles:
CCN[C@@H]1C[C@@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@@H]2NC(C)=O)[C@@H](O)[C@H]1O[C@H]1OC[C@@](C)(O)[C@H](NC)[C@@H]1OAglycone:
CCNC1CC(N)C(OC2OC(CN)=CCC2NC(C)=O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.62 | Num_heavy_atoms: | 36 |
| TPSA: | 202.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD24544
Formula: C16H30O5N4
Smiles:
CCNC1CC(N)C(OC2OC(CN)=CCC2NC(C)=O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.44 | Num_heavy_atoms: | 25 |
| TPSA: | 152.09 | NumAromaticRings: | 0 |
