Glycoside
GD038836
Name:
phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] esterFormula:
C14H19O7N2PSmiles:
Cc1cc2ncn([C@H]3O[C@H](CO)[C@H](OP(=O)(O)O)[C@@H]3O)c2cc1CAglycone:
Cc1cc2c(cc1C)N=C[N]2.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.29 | Num_heavy_atoms: | 24 |
| TPSA: | 134.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD23668
Formula: C9H9N2
Smiles:
Cc1cc2c(cc1C)N=C[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.19 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
