Glycoside
GD023085
Name:
NoneFormula:
C17H17O7N3Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1C#Cc1cccnc1Aglycone:
O=c1[nH]cc(C#Cc2cccnc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 375.34 | Num_heavy_atoms: | 27 |
| TPSA: | 157.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD15569
Formula: C11H7O2N3
Smiles:
O=c1[nH]cc(C#Cc2cccnc2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.2 | Num_heavy_atoms: | 16 |
| TPSA: | 78.61 | NumAromaticRings: | 2 |
