Glycoside
GD026517
Name:
NoneFormula:
C25H24O7N3ClSSmiles:
O=C(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2cnccc2Cl)[C@H](O)[C@H]1O)c1cccc(-c2ccccc2)c1Aglycone:
CNS(=O)(=O)c1cnccc1Cl.NC(=O)c1cccc(-c2ccccc2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.99 | Num_heavy_atoms: | 36 |
| TPSA: | 158.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD05138
Formula: C13H11ON
Smiles:
NC(=O)c1cccc(-c2ccccc2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.24 | Num_heavy_atoms: | 15 |
| TPSA: | 43.09 | NumAromaticRings: | 2 |
AD17470
Formula: C7H7O2N2ClS
Smiles:
CNS(=O)(=O)c1cnccc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.65 | Num_heavy_atoms: | 12 |
| TPSA: | 59.06 | NumAromaticRings: | 1 |
