Glycoside
GD029838
Name:
NoneFormula:
C26H19O7N2FSSmiles:
O=C1NC(=O)c2c1c1c3ccccc3sc1c1c2c2cc(F)ccc2n1C1OC(CO)C(O)C(O)C1OAglycone:
O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1sc3ccccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 522.51 | Num_heavy_atoms: | 37 |
| TPSA: | 141.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD19361
Formula: C20H9O2N2FS
Smiles:
O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1sc3ccccc3c21| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.37 | Num_heavy_atoms: | 26 |
| TPSA: | 61.96 | NumAromaticRings: | 5 |
