Glycoside
GD008888
Name:
NoneFormula:
C25H21O5N3Smiles:
OC[C@@H]1O[C@H](n2c3ccc(-c4ccccc4)cc3c3c(-c4ccco4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(-c2ccc3c(c2)-c2c(ncnc2-c2ccco2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 443.46 | Num_heavy_atoms: | 33 |
| TPSA: | 113.77 | NumAromaticRings: | 5 |
Unique Aglycone
AD07041
Formula: C20H12ON3
Smiles:
c1ccc(-c2ccc3c(c2)-c2c(ncnc2-c2ccco2)[N]3)cc1| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.34 | Num_heavy_atoms: | 24 |
| TPSA: | 53.02 | NumAromaticRings: | 4 |
