Glycoside
GD019326
Name:
NoneFormula:
C15H24O16N2P2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]2O)c(=O)[nH]1Aglycone:
O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)CC2O)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.3 | Num_heavy_atoms: | 35 |
| TPSA: | 276.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD13506
Formula: C9H14O11N2P2
Smiles:
O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)CC2O)c(=O)[nH]1| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.16 | Num_heavy_atoms: | 24 |
| TPSA: | 197.61 | NumAromaticRings: | 1 |
