Glycoside
GD020713
Name:
NoneFormula:
C22H30O10N7PSSmiles:
COC(=O)CNP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N(C)NS(C)(=O)=O)ncnc32)[C@@](C)(O)[C@H]1O)Oc1ccccc1Aglycone:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2.COC(=O)CNP(=O)(OC)Oc1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 615.56 | Num_heavy_atoms: | 41 |
| TPSA: | 216.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD02036
Formula: C7H9O2N6S
Smiles:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.26 | Num_heavy_atoms: | 16 |
| TPSA: | 101.65 | NumAromaticRings: | 1 |
AD12851
Formula: C10H14O5NP
Smiles:
COC(=O)CNP(=O)(OC)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
