Glycoside
GD028847
Name:
NoneFormula:
C15H25O17N3P2Smiles:
Nc1cn([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@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)(O)OP(=O)(O)O.Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.73 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.32 | Num_heavy_atoms: | 37 |
| TPSA: | 323.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD02435
Formula: C4H5O2N3
Smiles:
Nc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
