Glycoside
GD111445
Name:
NoneFormula:
C27H22O9N2Smiles:
COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(C#N)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.N#Cc1ccc(N)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 518.48 | Num_heavy_atoms: | 38 |
| TPSA: | 161.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD44013
Formula: C8H8O2
Smiles:
COc1cccc(C=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44039
Formula: C7H6N2
Smiles:
N#Cc1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.14 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
