Glycoside
GD021018
Name:
NoneFormula:
C20H21O4N5Smiles:
C=Cc1nc2c(N3CCc4ccccc43)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
C=CC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.42 | Num_heavy_atoms: | 29 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD14423
Formula: C15H12N5
Smiles:
C=CC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.3 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
