Glycoside
GD035900
Name:
NoneFormula:
C17H18O5N2Smiles:
OC[C@@H]1O[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc2cc3[nH]cnc3cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 118.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD22684
Formula: C11H8N2
Smiles:
c1ccc2cc3[nH]cnc3cc2c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.2 | Num_heavy_atoms: | 13 |
| TPSA: | 28.68 | NumAromaticRings: | 3 |
