Glycoside
GD078983
Name:
NoneFormula:
C18H20O6N2SSmiles:
C[C@@H]1O[C@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.43 | Num_heavy_atoms: | 27 |
| TPSA: | 125.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD36254
Formula: C12H10O2N2S
Smiles:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.29 | Num_heavy_atoms: | 17 |
| TPSA: | 69.16 | NumAromaticRings: | 2 |
