Glycoside
GD037732
Name:
phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] esterFormula:
C15H29O15N5P2Smiles:
NC(=O)c1ncn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1NCNCC(O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
CNCNC1=C(C(N)=O)N=C[N]1.COP(=O)(O)OSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.73 |
| AlogP: | -5.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 581.37 | Num_heavy_atoms: | 37 |
| TPSA: | 328.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23714
Formula: C6H10ON5
Smiles:
CNCNC1=C(C(N)=O)N=C[N]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 168.18 | Num_heavy_atoms: | 12 |
| TPSA: | 93.61 | NumAromaticRings: | 0 |
