Glycoside
GD007127
Name:
NoneFormula:
C14H18O8N2Smiles:
CCOC(=O)C=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCOC(=O)C=Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.3 | Num_heavy_atoms: | 24 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD05826
Formula: C9H10O4N2
Smiles:
CCOC(=O)C=Cc1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 92.02 | NumAromaticRings: | 1 |
