Glycoside
GD145503
Name:
4-amino-1-(5-amino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(1,2,3,4,5,6-hexahydroxyhexyl)-4-hydroxyoxan-2-yl)-1,2-dihydropyrimidin-2-oneFormula:
C21H37O14N5Smiles:
N=c1ccn(C2OC(C(O)C(O)C(O)C(O)C(O)CO)C(N)C(O)C2OC2OC(CO)C(O)C(N)C2O)c(O)n1Aglycone:
N=c1ccn(C2OCC(N)C(O)C2O)c(O)n1Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OCC(O)C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.81 |
| AlogP: | -8.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.55 | Num_heavy_atoms: | 40 |
| TPSA: | 343.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD58402
Formula: C9H14O4N4
Smiles:
N=c1ccn(C2OCC(N)C(O)C2O)c(O)n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 137.61 | NumAromaticRings: | 1 |
