Glycoside
GD008577
Name:
NoneFormula:
C21H17O6N3Smiles:
OC[C@@H]1O[C@H](n2c3ccoc3c3c(-c4cc5ccccc5o4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc2oc(-c3ncnc4c3-c3occc3[N]4)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 407.38 | Num_heavy_atoms: | 30 |
| TPSA: | 126.91 | NumAromaticRings: | 5 |
Unique Aglycone
AD06831
Formula: C16H8O2N3
Smiles:
c1ccc2oc(-c3ncnc4c3-c3occc3[N]4)cc2c1| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.26 | Num_heavy_atoms: | 21 |
| TPSA: | 66.16 | NumAromaticRings: | 4 |
