Glycoside
GD025607
Name:
NoneFormula:
C24H26O7N2Smiles:
COc1cc(C(=O)[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)ccc1C=C1CCCN=C1c1cccnc1Aglycone:
COc1cc(C=O)ccc1C=C1CCCN=C1c1cccnc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.48 | Num_heavy_atoms: | 33 |
| TPSA: | 141.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD16957
Formula: C19H18O2N2
Smiles:
COc1cc(C=O)ccc1C=C1CCCN=C1c1cccnc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.36 | Num_heavy_atoms: | 23 |
| TPSA: | 51.55 | NumAromaticRings: | 2 |
