Glycoside
GD135950
Name:
SaicarFormula:
C13H19O12N4PSmiles:
Nc1c(C(O)=NC(CC(=O)O)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.NC1=C(C(O)=NC(CC(=O)O)C(=O)O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.29 | Num_heavy_atoms: | 30 |
| TPSA: | 267.48 | NumAromaticRings: | 1 |
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 |
AD54959
Formula: C8H9O5N4
Smiles:
NC1=C(C(O)=NC(CC(=O)O)C(=O)O)N=C[N]1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.18 | Num_heavy_atoms: | 17 |
| TPSA: | 159.67 | NumAromaticRings: | 0 |
