Glycoside
GD039914
Name:
n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazoleFormula:
C13H17O8N2PSmiles:
COc1ccc2c(c1)ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.COc1ccc2c(c1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.26 | Num_heavy_atoms: | 24 |
| TPSA: | 143.5 | NumAromaticRings: | 2 |
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 |
AD24586
Formula: C8H7ON2
Smiles:
COc1ccc2c(c1)N=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.16 | Num_heavy_atoms: | 11 |
| TPSA: | 35.69 | NumAromaticRings: | 1 |
