Glycoside
GD152753
Name:
2-amino-N-[carbamoyl({3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl})methyl]-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamideFormula:
C21H28O10N6Smiles:
CC(C(N)C(O)=NC(C(=N)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1O)C(O)c1ccc(O)cn1Aglycone:
CC(C(N)C(O)=NCC(=N)O)C(O)c1ccc(O)cn1.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.49 | Num_heavy_atoms: | 37 |
| TPSA: | 281.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
AD58837
Formula: C12H18O4N4
Smiles:
CC(C(N)C(O)=NCC(=N)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 156.04 | NumAromaticRings: | 1 |
