Glycoside
GD148834
Name:
5-methyl-4-(methylamino)-2-[(2,4,6-triamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}cyclohexyl)oxy]oxane-3,5-diolFormula:
C19H38O6N6Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2N)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2N)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.55 | Num_heavy_atoms: | 31 |
| TPSA: | 219.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD59538
Formula: C12H25O3N5
Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2N)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.36 | Num_heavy_atoms: | 20 |
| TPSA: | 168.79 | NumAromaticRings: | 0 |
