Glycoside
GD114187
Name:
2-[(2,4-diamino-5-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H39O10N5Smiles:
CNC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)OCC1(C)OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.55 | Num_heavy_atoms: | 34 |
| TPSA: | 274.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
