Glycoside
GD140482
Name:
Gdp-4-Dehydro-6-Deoxy-Alpha-D-Mannose(2-)Formula:
C16H23O15N5P2Smiles:
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(O)nc(=N)[nH]c43)C(O)C2O)C(O)C(O)C1=OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.33 | Num_heavy_atoms: | 38 |
| TPSA: | 309.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD24228
Formula: C7H14O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.13 | Num_heavy_atoms: | 20 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
