Glycoside
GD037301
Name:
NoneFormula:
C15H18O6N2Smiles:
Cc1c(C#CC2CC2)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1[nH]c(=O)[nH]c(=O)c1C#CC1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD23507
Formula: C10H10O2N2
Smiles:
Cc1[nH]c(=O)[nH]c(=O)c1C#CC1CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
