Glycoside
GD032027
Name:
NoneFormula:
C20H23O11N3Smiles:
COCOc1ccc(COC(=O)CC(=O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)nc1Aglycone:
COCOc1ccc(COC(=O)CC(=O)OC)nc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.41 | Num_heavy_atoms: | 34 |
| TPSA: | 188.5 | NumAromaticRings: | 2 |
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 |
AD20574
Formula: C12H15O6N
Smiles:
COCOc1ccc(COC(=O)CC(=O)OC)nc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 269.25 | Num_heavy_atoms: | 19 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
