Glycoside
GD017718
Name:
NoneFormula:
C25H25O10NSmiles:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C2=CC(=O)C=CC2=O)O[C@@H]1CNC(=O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.O=C1C=CC(=O)C=C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.47 | Num_heavy_atoms: | 36 |
| TPSA: | 151.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD06445
Formula: C6H4O2
Smiles:
O=C1C=CC(=O)C=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.1 | Num_heavy_atoms: | 8 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
