Glycoside
GD014803
Name:
NoneFormula:
C17H18O7N2Smiles:
Cc1cn(C2OC(CC(=O)Oc3ccccc3)C(O)C2O)c(=O)[nH]c1=OAglycone:
CC(=O)Oc1ccccc1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.34 | Num_heavy_atoms: | 26 |
| TPSA: | 130.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD10846
Formula: C8H8O2
Smiles:
CC(=O)Oc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
