Glycoside
GD050947
Name:
NoneFormula:
C14H16O6N2Smiles:
O=C(C#Cc1ccccn1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)C#Cc1ccccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD26778
Formula: C8H6ON2
Smiles:
NC(=O)C#Cc1ccccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.15 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
