Glycoside
GD119726
Name:
Xanthylic AcidFormula:
C10H13O9N4PSmiles:
O=P(O)(O)OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1OAglycone:
COP(=O)(O)O.Oc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.21 | Num_heavy_atoms: | 24 |
| TPSA: | 200.51 | 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 |
AD12557
Formula: C5H3O2N4
Smiles:
Oc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
