Glycoside
GD015641
Name:
NoneFormula:
C22H22O5N4Smiles:
COc1ccc(Nc2ncnc3c2c(-c2ccco2)cn3[C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(Nc2ncnc3c2C(c2ccco2)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.44 | Num_heavy_atoms: | 31 |
| TPSA: | 114.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD11346
Formula: C17H13O2N4
Smiles:
COc1ccc(Nc2ncnc3c2C(c2ccco2)=C[N]3)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.32 | Num_heavy_atoms: | 23 |
| TPSA: | 74.28 | NumAromaticRings: | 3 |
