Glycoside
GD013236
Name:
NoneFormula:
C20H21O8NSmiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)c1cccnc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.39 | Num_heavy_atoms: | 29 |
| TPSA: | 135.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
