Glycoside
GD009772
Name:
NoneFormula:
C21H26O5N2SSmiles:
Cc1cc(-c2ccc(N3CCC3)nc2)ccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(-c2ccc(N3CCC3)nc2)ccc1SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.52 | Num_heavy_atoms: | 29 |
| TPSA: | 106.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD07634
Formula: C15H16N2S
Smiles:
Cc1cc(-c2ccc(N3CCC3)nc2)ccc1S| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.37 | Num_heavy_atoms: | 18 |
| TPSA: | 16.13 | NumAromaticRings: | 2 |
