Glycoside
GD019137
Name:
NoneFormula:
C27H20O7N2F2SSmiles:
CN1C(=O)c2c(c3c4cc(F)ccc4n(C4OC(CO)C(O)C(O)C4O)c3c3sc4ccc(F)cc4c23)C1=OAglycone:
CN1C(=O)c2c(c3c4cc(F)ccc4sc3c3[nH]c4ccc(F)cc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 554.53 | Num_heavy_atoms: | 39 |
| TPSA: | 132.46 | NumAromaticRings: | 5 |
Unique Aglycone
AD13397
Formula: C21H10O2N2F2S
Smiles:
CN1C(=O)c2c(c3c4cc(F)ccc4sc3c3[nH]c4ccc(F)cc4c23)C1=O| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 392.39 | Num_heavy_atoms: | 28 |
| TPSA: | 53.17 | NumAromaticRings: | 5 |
