Glycoside
GD118254
Name:
NoneFormula:
C29H33O8NSmiles:
CC(=O)OC1C(OCc2ccc([NH+]([O-])O)cc2)OC(C)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
OCc1ccccc1.OCc1ccccc1.[O-][NH+](O)c1ccc(CO)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.34 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 523.58 | Num_heavy_atoms: | 38 |
| TPSA: | 110.95 | NumAromaticRings: | 3 |
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 |
AD47266
Formula: C7H9O3N
Smiles:
[O-][NH+](O)c1ccc(CO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.15 | Num_heavy_atoms: | 11 |
| TPSA: | 67.96 | NumAromaticRings: | 1 |
