Glycoside
GD081496
Name:
NoneFormula:
C21H27O8NSmiles:
CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1)C2Aglycone:
CCOC(=O)C12CNCC(C1)c1ccccc1C2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.45 | Num_heavy_atoms: | 30 |
| TPSA: | 144.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD36691
Formula: C15H19O2N
Smiles:
CCOC(=O)C12CNCC(C1)c1ccccc1C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.32 | Num_heavy_atoms: | 18 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
