Glycoside
GD019363
Name:
NoneFormula:
C22H29O8N6PSmiles:
COC(=O)[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1)C(C)CAglycone:
COC(=O)C(NP(=O)(OC)Oc1ccccc1)C(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.48 | Num_heavy_atoms: | 37 |
| TPSA: | 193.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13527
Formula: C13H20O5NP
Smiles:
COC(=O)C(NP(=O)(OC)Oc1ccccc1)C(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 301.28 | Num_heavy_atoms: | 20 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
