Glycoside
GD126158
Name:
N-{3-carbamimidamido-4-[(4-formyl-4-hydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidineFormula:
C27H49O17N7Smiles:
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)C=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.89 |
| AlogP: | -9.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 743.72 | Num_heavy_atoms: | 51 |
| TPSA: | 410.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD07399
Formula: C8H18O4N6
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.27 | Num_heavy_atoms: | 18 |
| TPSA: | 204.72 | NumAromaticRings: | 0 |
