Glycoside
GD095829
Name:
NoneFormula:
C19H24O11N2Smiles:
COc1ccn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)n1Aglycone:
COC(C)=O.COc1cc[nH]c(=O)n1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 158.55 | 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 |
AD22551
Formula: C5H6O2N2
Smiles:
COc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.98 | NumAromaticRings: | 1 |
