Glycoside
GD032013
Name:
NoneFormula:
C27H29O13NSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3OC1OC(CO)C(O)C(O)C1NAglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 575.52 | Num_heavy_atoms: | 41 |
| TPSA: | 246.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD01552
Formula: C21H18O9
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
