Glycoside
GD025942
Name:
NoneFormula:
C21H27O9NSmiles:
CC(=O)OCC1OC(Nc2cccc(C)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1cccc(N)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.45 | Num_heavy_atoms: | 31 |
| TPSA: | 126.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07094
Formula: C7H9N
Smiles:
Cc1cccc(N)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 107.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
