Glycoside
GD097416
Name:
NoneFormula:
C22H25O8N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc2cccnc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.52 | Num_heavy_atoms: | 34 |
| TPSA: | 160.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD41427
Formula: C16H15O4N3S
Smiles:
O=C(NCCO)c1cc2cccnc2n1S(=O)(=O)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.38 | Num_heavy_atoms: | 24 |
| TPSA: | 101.29 | NumAromaticRings: | 3 |
