Glycoside
GD029294
Name:
NoneFormula:
C24H32O11N7PSmiles:
CCOC(=O)CC[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCCAglycone:
CCOC(=O)CCC(NP(=O)(OC)Oc1ccccc1)C(=O)OCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 625.53 | Num_heavy_atoms: | 43 |
| TPSA: | 259.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD19069
Formula: C16H24O7NP
Smiles:
CCOC(=O)CCC(NP(=O)(OC)Oc1ccccc1)C(=O)OCC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 373.34 | Num_heavy_atoms: | 25 |
| TPSA: | 100.16 | NumAromaticRings: | 1 |
