Glycoside
GD023610
Name:
NoneFormula:
C21H21O5N3Smiles:
OC[C@@H]1O[C@H](c2nc(-c3ccc4c(c3)Cc3ccccc3-4)n[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc2c(c1)Cc1cc(-c3nc[nH]n3)ccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 395.42 | Num_heavy_atoms: | 29 |
| TPSA: | 131.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD15857
Formula: C15H11N3
Smiles:
c1ccc2c(c1)Cc1cc(-c3nc[nH]n3)ccc1-2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.27 | Num_heavy_atoms: | 18 |
| TPSA: | 41.57 | NumAromaticRings: | 3 |
