Glycoside
GD002226
Name:
NoneFormula:
C31H28O6N2Smiles:
OC[C@@H]1O[C@H](Oc2cccc(C#Cc3ccc(C#Cc4cccc(C5=NCCN5)c4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cccc(C#Cc2ccc(C#Cc3cccc(C4=NCCN4)c3)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 524.57 | Num_heavy_atoms: | 39 |
| TPSA: | 123.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD02147
Formula: C25H18ON2
Smiles:
Oc1cccc(C#Cc2ccc(C#Cc3cccc(C4=NCCN4)c3)cc2)c1| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.43 | Num_heavy_atoms: | 28 |
| TPSA: | 44.62 | NumAromaticRings: | 3 |
