Glycoside
GD024479
Name:
NoneFormula:
C18H23O9N6PSmiles:
C[C@H](NP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
C1=Nc2c(ncnc2NCc2ccco2)[N]1.COP(=O)(O)NC(C)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 498.39 | Num_heavy_atoms: | 34 |
| TPSA: | 214.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD00372
Formula: C10H8ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccco2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
AD13237
Formula: C4H10O5NP
Smiles:
COP(=O)(O)NC(C)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.1 | Num_heavy_atoms: | 11 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
