Glycoside
GD029986
Name:
NoneFormula:
C31H33O9N6PSmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1Aglycone:
C1=Nc2c(ncnc2NCc2ccco2)[N]1.COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 192.32 | NumAromaticRings: | 5 |
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 |
AD01778
Formula: C17H20O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 349.32 | Num_heavy_atoms: | 24 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
