Glycoside
GD005706
Name:
NoneFormula:
C17H22O11N3F5P2SSmiles:
O=c1[nH]c(=NOCc2ccc(S(F)(F)(F)(F)F)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.O=c1[nH]ccc(=NOCc2ccc(S(F)(F)(F)(F)F)cc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 633.38 | Num_heavy_atoms: | 39 |
| TPSA: | 213.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD04807
Formula: C11H10O2N3F5S
Smiles:
O=c1[nH]ccc(=NOCc2ccc(S(F)(F)(F)(F)F)cc2)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.28 | Num_heavy_atoms: | 22 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
