Glycoside
GD110167
Name:
NoneFormula:
C29H30O7N2Smiles:
CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1NC(=O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.NC(=O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.57 | Num_heavy_atoms: | 38 |
| TPSA: | 112.19 | 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 |
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 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
