Glycoside
GD146147
Name:
N-{5-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,3-dihydroxycyclohexyl}guanidineFormula:
C21H39O11N7Smiles:
CNC1C(OC2C(OC3C(NC(=N)N)CC(NC(=N)N)C(O)C3O)OC(C)C2(O)C=O)OC(CO)C(O)C1OAglycone:
N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)C=O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.86 |
| AlogP: | -6.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 565.58 | Num_heavy_atoms: | 39 |
| TPSA: | 311.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD01955
Formula: C8H18O3N6
Smiles:
N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.75 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.27 | Num_heavy_atoms: | 17 |
| TPSA: | 184.49 | NumAromaticRings: | 0 |
