Glycoside
GD032535
Name:
NoneFormula:
C24H27O11NSmiles:
CC(=O)OC[C@@H]1O[C@H](OCc2cc(-c3ccccc3)no2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.OCc1cc(-c2ccccc2)no1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.48 | Num_heavy_atoms: | 36 |
| TPSA: | 149.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13655
Formula: C10H9O2N
Smiles:
OCc1cc(-c2ccccc2)no1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.26 | NumAromaticRings: | 2 |
