Glycoside
GD005130
Name:
NoneFormula:
C15H17O5N3SSmiles:
C=CCSC[C@@H]1O[C@H](n2cnc3c([N+](=O)[O-])cccc32)[C@H](O)[C@H]1OAglycone:
C=CCSC.O=[N+]([O-])c1cccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.38 | Num_heavy_atoms: | 24 |
| TPSA: | 110.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00777
Formula: C7H4O2N3
Smiles:
O=[N+]([O-])c1cccc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.13 | Num_heavy_atoms: | 12 |
| TPSA: | 69.6 | NumAromaticRings: | 1 |
AD04388
Formula: C4H8S
Smiles:
C=CCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.17 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
