Glycoside
GD062462
Name:
NoneFormula:
C15H18O9N2Smiles:
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=OAglycone:
CC(=O)CO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)C1(O)C(O)OC(O)C1(O)C(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.31 | Num_heavy_atoms: | 26 |
| TPSA: | 175.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD12135
Formula: C3H6O2
Smiles:
CC(=O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
