Glycoside
GD022072
Name:
NoneFormula:
C17H17O5N3Smiles:
O=c1[nH]cnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(c1ccccc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.34 | Num_heavy_atoms: | 25 |
| TPSA: | 120.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD15008
Formula: C12H8ON3
Smiles:
O=c1[nH]cnc2c1C(c1ccccc1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 59.85 | NumAromaticRings: | 2 |
