Glycoside
GD008872
Name:
NoneFormula:
C22H21O5N3Smiles:
OC[C@@H]1O[C@H](c2nc(-c3ccc4cc5ccccc5cc4c3)n[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc2cc3cc(-c4nc[nH]n4)ccc3cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 407.43 | Num_heavy_atoms: | 30 |
| TPSA: | 131.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD07029
Formula: C16H11N3
Smiles:
c1ccc2cc3cc(-c4nc[nH]n4)ccc3cc2c1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 245.29 | Num_heavy_atoms: | 19 |
| TPSA: | 41.57 | NumAromaticRings: | 4 |
