Glycoside
GD147119
Name:
N-{3-carbamimidamido-2,5,6-trihydroxy-4-[(3,3,4-trihydroxy-4,5-dimethyloxolan-2-yl)oxy]cyclohexyl}guanidineFormula:
C14H28O8N6Smiles:
CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(O)(O)C1(C)OAglycone:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CC1OC(O)C(O)(O)C1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.86 |
| AlogP: | -5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.41 | Num_heavy_atoms: | 28 |
| TPSA: | 263.64 | 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 |
