Glycoside
GD061684
Name:
NoneFormula:
C17H17O7NSmiles:
O=C(OC[C@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=c1cc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD02628
Formula: C5H5O2N
Smiles:
O=c1cc(O)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
