Glycoside
GD067465
Name:
NoneFormula:
C14H22O7N2SSmiles:
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(=O)CCSAglycone:
O=CN1CC2CC(C1)N2C(=O)CCSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.4 | Num_heavy_atoms: | 24 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD32162
Formula: C9H14O2N2S
Smiles:
O=CN1CC2CC(C1)N2C(=O)CCS| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.29 | Num_heavy_atoms: | 14 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
