Glycoside
GD001409
Name:
NoneFormula:
C14H25O18N2P3Smiles:
O=P(O)(O)O[C@@H]1[C@@H](n2ccnc2)O[C@@H](CO)[C@H]1O[C@H]1O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OAglycone:
C1=CN=C[N]1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.27 | Num_heavy_atoms: | 37 |
| TPSA: | 306.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD01418
Formula: C3H3N2
Smiles:
C1=CN=C[N]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 67.07 | Num_heavy_atoms: | 5 |
| TPSA: | 26.46 | NumAromaticRings: | 0 |
