Glycoside
GD102633
Name:
NoneFormula:
C22H27O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cccc(N2CCCC2)n1Aglycone:
O=C(Nc1ccc(S)cc1)c1cccc(N2CCCC2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.54 | Num_heavy_atoms: | 32 |
| TPSA: | 135.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD43449
Formula: C16H17ON3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cccc(N2CCCC2)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.4 | Num_heavy_atoms: | 21 |
| TPSA: | 45.23 | NumAromaticRings: | 2 |
