Glycoside
GD101105
Name:
NoneFormula:
C24H31O6N3SSmiles:
CC(=O)N1CCN(c2ccc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(Nc3ccc(S)cc3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.59 | Num_heavy_atoms: | 34 |
| TPSA: | 125.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD42732
Formula: C18H21ON3S
Smiles:
CC(=O)N1CCN(c2ccc(Nc3ccc(S)cc3)cc2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.45 | Num_heavy_atoms: | 23 |
| TPSA: | 35.58 | NumAromaticRings: | 2 |
