Glycoside
GD106382
Name:
NoneFormula:
C10H21O13N2F2P3SSmiles:
O=c1[nH]c(=S)ccn1[C@@H]1O[C@@H](CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)O.O=c1[nH]ccc(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.26 | Num_heavy_atoms: | 31 |
| TPSA: | 247.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD06106
Formula: C4H4ON2S
Smiles:
O=c1[nH]ccc(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
AD44167
Formula: C2H13O9F2P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.03 | Num_heavy_atoms: | 16 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
