Glycoside
GD097934
Name:
NoneFormula:
C20H30O8N2SSmiles:
Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCO3)cs1Aglycone:
Cc1nc(COCC2CCCC23CNCCO3)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.53 | Num_heavy_atoms: | 31 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD41653
Formula: C14H22O2N2S
Smiles:
Cc1nc(COCC2CCCC23CNCCO3)cs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.41 | Num_heavy_atoms: | 19 |
| TPSA: | 43.38 | NumAromaticRings: | 1 |
