Glycoside
GD067193
Name:
NoneFormula:
C16H18O7N2Smiles:
O=C1C=Cc2[nH]cc(/C=C\NC[C@]3(O)OC[C@@H](O)[C@@H](O)[C@H]3O)c2C1=OAglycone:
CNC=Cc1c[nH]c2c1C(=O)C(=O)C=C2Sugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 152.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD32087
Formula: C11H10O2N2
Smiles:
CNC=Cc1c[nH]c2c1C(=O)C(=O)C=C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 61.96 | NumAromaticRings: | 1 |
