Glycoside
GD078608
Name:
NoneFormula:
C20H21O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nnc(-c3ccccc3)c3ccccc23)[C@@H](O)[C@@H]1OAglycone:
Nc1nnc(-c2ccccc2)c2ccccc12Sugarmoiety:
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
AD36122
Formula: C14H11N3
Smiles:
Nc1nnc(-c2ccccc2)c2ccccc12| 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 |
