Glycoside
GD074268
Name:
NoneFormula:
C16H22O7N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2C[C@H]1OC=CC1=SAglycone:
O=CN1CC2CC(C1)N2CC1OC=CC1=SSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.43 | Num_heavy_atoms: | 26 |
| TPSA: | 122.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD34332
Formula: C11H14O2N2S
Smiles:
O=CN1CC2CC(C1)N2CC1OC=CC1=S| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.31 | Num_heavy_atoms: | 16 |
| TPSA: | 32.78 | NumAromaticRings: | 0 |
