Glycoside
GD115684
Name:
2-(aminomethyl)-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C12H25O7N3Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(O)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -5.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.35 | Num_heavy_atoms: | 22 |
| TPSA: | 197.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
