Glycoside
GD157994
Name:
MethylallosamidinFormula:
C26H44O14N4Smiles:
COCC1OC(OC2C(CO)OC(OC3C(O)C4N=C(N(C)C)OC4C3CO)C(N=C(C)O)C2O)C(N=C(C)O)C(O)C1OAglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
COCC1OC(OC2C(CO)OC(O)C(N=C(C)O)C2O)C(N=C(C)O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 636.65 | Num_heavy_atoms: | 44 |
| TPSA: | 257.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
