Glycoside
GD022067
Name:
NoneFormula:
C24H27O11NSmiles:
O=C(O)CCC(NC(=O)c1ccc(-c2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OAglycone:
O=C(O)CCC(NC(=O)c1ccc(-c2ccccc2O)cc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.48 | Num_heavy_atoms: | 36 |
| TPSA: | 203.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD15004
Formula: C18H17O6N
Smiles:
O=C(O)CCC(NC(=O)c1ccc(-c2ccccc2O)cc1)C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.34 | Num_heavy_atoms: | 25 |
| TPSA: | 123.93 | NumAromaticRings: | 2 |
