Glycoside
GD029280
Name:
NoneFormula:
C11H18O9N3PSmiles:
COP(=O)(OC)OC[C@@H]1O[C@H](C2=NNC(C(N)=O)C2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(OC)OC.NC(=O)C1NN=CC1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 367.25 | Num_heavy_atoms: | 24 |
| TPSA: | 179.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD02023
Formula: C3H9O4P
Smiles:
COP(=O)(OC)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 140.07 | Num_heavy_atoms: | 8 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
AD06356
Formula: C4H5O2N3
Smiles:
NC(=O)C1NN=CC1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 84.55 | NumAromaticRings: | 0 |
