Glycoside
GD020339
Name:
NoneFormula:
C9H15O11N3P2Smiles:
O=c1cnn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CP(=O)(O)O.O=c1cn[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.18 | Num_heavy_atoms: | 25 |
| TPSA: | 221.5 | NumAromaticRings: | 1 |
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 |
AD07645
Formula: C3H3O2N3
Smiles:
O=c1cn[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.61 | NumAromaticRings: | 1 |
