Glycoside
GD011031
Name:
NoneFormula:
C31H22O6N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1C#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43Aglycone:
O=c1[nH]cc(C#Cc2ccc3c4cccc5cccc(c6cccc2c63)c54)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 518.53 | Num_heavy_atoms: | 39 |
| TPSA: | 124.78 | NumAromaticRings: | 6 |
Unique Aglycone
AD08460
Formula: C26H14O2N2
Smiles:
O=c1[nH]cc(C#Cc2ccc3c4cccc5cccc(c6cccc2c63)c54)c(=O)[nH]1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 386.41 | Num_heavy_atoms: | 30 |
| TPSA: | 65.72 | NumAromaticRings: | 6 |
