Glycoside
GD138035
Name:
2-[(4-amino-3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H37O11N3Smiles:
CNC1C(O)C(OC2C(O)CC(N)C(OC3OC(CO)C(O)C(O)C3N)C2O)OCC1(C)OAglycone:
NC1CC(O)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)O.NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -5.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 483.52 | Num_heavy_atoms: | 33 |
| TPSA: | 242.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD17359
Formula: C6H13O4N
Smiles:
NC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.17 | Num_heavy_atoms: | 11 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
