Glycoside
GD139730
Name:
4-amino-1-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2-dihydropyrimidin-2-oneFormula:
C21H33O15N3Smiles:
N=c1ccn(C2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)c(O)n1Aglycone:
N=C1C=C[N]C(O)=N1Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.81 |
| AlogP: | -6.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 567.5 | Num_heavy_atoms: | 39 |
| TPSA: | 290.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
