Glycoside
GD100417
Name:
NoneFormula:
C22H31O5N4SSmiles:
CN1CCN(c2cc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3)cc[nH+]2)CC1Aglycone:
CN1CCN(c2cc(Nc3ccc(S)cc3)cc[nH+]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.58 | Num_heavy_atoms: | 32 |
| TPSA: | 122.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD42438
Formula: C16H21N4S
Smiles:
CN1CCN(c2cc(Nc3ccc(S)cc3)cc[nH+]2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.44 | Num_heavy_atoms: | 21 |
| TPSA: | 32.65 | NumAromaticRings: | 2 |
