Glycoside
GD036737
Name:
NoneFormula:
C18H21O9NSmiles:
N#CC(=CCO)CO[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(O)cc1.N#CC(=CCO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.36 | Num_heavy_atoms: | 28 |
| TPSA: | 169.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD14685
Formula: C5H7O2N
Smiles:
N#CC(=CCO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
