Glycoside
GD145564
Name:
2-[(4-amino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H38O7N4Smiles:
CNC1C(O)C(OC2CCC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)OAglycone:
NCC1CCC(N)C(OC2C(N)CCC(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.53 | Num_heavy_atoms: | 30 |
| TPSA: | 187.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD58418
Formula: C12H25O4N3
Smiles:
NCC1CCC(N)C(OC2C(N)CCC(O)C2O)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.35 | Num_heavy_atoms: | 19 |
| TPSA: | 136.98 | NumAromaticRings: | 0 |
