Glycoside
GD001055
Name:
NoneFormula:
C27H28O6N4Smiles:
O=C(Nc1ccc2[nH]c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2c1)NC(c1ccccc1)c1ccccc1Aglycone:
O=C(Nc1ccc2[nH]cnc2c1)NC(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.54 | Num_heavy_atoms: | 37 |
| TPSA: | 159.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD01098
Formula: C21H18ON4
Smiles:
O=C(Nc1ccc2[nH]cnc2c1)NC(c1ccccc1)c1ccccc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.4 | Num_heavy_atoms: | 26 |
| TPSA: | 69.81 | NumAromaticRings: | 4 |
