Glycoside
GD038952
Name:
[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphateFormula:
C17H22O14N5P2Smiles:
O=P([O-])(OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O)OP(=O)([O-])OC[C@H]1O[C@H](n2cnc3c2nc[n+]2cc[nH]c32)[C@@H](O)[C@H]1OAglycone:
C1=Nc2c(nc[n+]3cc[nH]c23)[N]1.COP(=O)([O-])OP(=O)([O-])OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -4.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.33 | Num_heavy_atoms: | 38 |
| TPSA: | 278.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD11381
Formula: C2H6O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.01 | Num_heavy_atoms: | 11 |
| TPSA: | 107.95 | NumAromaticRings: | 0 |
AD24204
Formula: C7H5N5
Smiles:
C1=Nc2c(nc[n+]3cc[nH]c23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.15 | Num_heavy_atoms: | 12 |
| TPSA: | 59.24 | NumAromaticRings: | 2 |
