Glycoside
GD145240
Name:
Gdp-ValienolFormula:
C17H25O15N5P2Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OC4C=C(CO)C(O)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OC1C=C(CO)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: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 601.36 | Num_heavy_atoms: | 39 |
| TPSA: | 323.48 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD58314
Formula: C8H16O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1C=C(CO)C(O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.15 | Num_heavy_atoms: | 21 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
