Glycoside
GD122375
Name:
2-{[4,6-diamino-2-hydroxy-3-({6-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-yl}oxy)cyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H36O7N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC4CCC3N=C4C)C2O)OCC1(C)OAglycone:
CC1=NC2CCC1OC2OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.53 | Num_heavy_atoms: | 31 |
| TPSA: | 174.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD49304
Formula: C13H23O4N3
Smiles:
CC1=NC2CCC1OC2OC1C(N)CC(N)C(O)C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.34 | Num_heavy_atoms: | 20 |
| TPSA: | 123.32 | NumAromaticRings: | 0 |
