Glycoside
GD078614
Name:
NoneFormula:
C20H21O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3ccc4ccccc4c3)nn2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc(-c2ccc3ccccc3c2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 383.4 | Num_heavy_atoms: | 28 |
| TPSA: | 127.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD36124
Formula: C14H11N3
Smiles:
Nc1ccc(-c2ccc3ccccc3c2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.26 | Num_heavy_atoms: | 17 |
| TPSA: | 51.8 | NumAromaticRings: | 3 |
