Glycoside
GD029304
Name:
NoneFormula:
C22H27O7NSmiles:
CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@H](O)C(OCc2ccccc2)[C@H]1OAglycone:
CNC(=O)OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01480
Formula: C9H11O2N
Smiles:
CNC(=O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
