Glycoside
GD146318
Name:
5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolane-3-carboxylic acidFormula:
C21H39O13N7Smiles:
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C(=O)O)OC(CO)C(O)C1OAglycone:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)C(=O)O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.86 |
| AlogP: | -7.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 597.58 | Num_heavy_atoms: | 41 |
| TPSA: | 351.66 | 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 |
