Glycoside
GD111165
Name:
NoneFormula:
C29H27O8NSmiles:
CO[C@H]1OC[C@@H](N(C(C)=O)C(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
CC(=O)NC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 517.53 | Num_heavy_atoms: | 38 |
| TPSA: | 108.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44696
Formula: C9H9O2N
Smiles:
CC(=O)NC(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
