Glycoside
GD014511
Name:
NoneFormula:
C20H20O5N4Smiles:
Cc1nc(N)c2c(-c3cc4ccccc4o3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Cc1nc(N)c2c(n1)[N]C=C2c1cc2ccccc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 139.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD10658
Formula: C15H11ON4
Smiles:
Cc1nc(N)c2c(n1)[N]C=C2c1cc2ccccc2o1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 263.28 | Num_heavy_atoms: | 20 |
| TPSA: | 79.04 | NumAromaticRings: | 3 |
