Glycoside
GD139418
Name:
2-(aminomethyl)-6-[(2,4-diamino-5-hydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C12H25O6N3Smiles:
NCC1OC(OC2CC(O)C(N)CC2N)C(O)C(O)C1OAglycone:
NC1CC(N)C(O)CC1OSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 177.44 | 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 |
