Glycoside
GD129999
Name:
5-amino-6-[(2,4-diamino-5-{[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy}cyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diolFormula:
C18H36O9N4Smiles:
CNC1C(O)COC(OC2CC(OC3OC(CO)C(O)C(O)C3N)C(N)CC2N)C1OAglycone:
NC1CC(N)C(O)CC1OSugarmoiety:
CNC1C(O)COC(O)C1O.NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -5.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.51 | Num_heavy_atoms: | 31 |
| TPSA: | 228.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD52666
Formula: C6H14O2N2
Smiles:
NC1CC(N)C(O)CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 92.5 | NumAromaticRings: | 0 |
