Glycoside
GD030731
Name:
NoneFormula:
C15H25O9N7P2Smiles:
Nc1nc(N2CCNCC2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(N2CCNCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.35 | Num_heavy_atoms: | 33 |
| TPSA: | 238.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD19876
Formula: C9H12N7
Smiles:
Nc1nc(N2CCNCC2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 93.53 | NumAromaticRings: | 1 |
