Glycoside
GD102114
Name:
NoneFormula:
C22H26O7N2SSmiles:
COc1cccnc1C1(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1Aglycone:
COc1cccnc1C1(C(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.52 | Num_heavy_atoms: | 32 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD43219
Formula: C16H16O2N2S
Smiles:
COc1cccnc1C1(C(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.38 | Num_heavy_atoms: | 21 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
