Glycoside
GD081404
Name:
NoneFormula:
C21H28O7N2Smiles:
CN1Cc2ccccc2CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)C1=OAglycone:
CN1Cc2ccccc2CC2(CCNCC2)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36668
Formula: C15H20ON2
Smiles:
CN1Cc2ccccc2CC2(CCNCC2)C1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.34 | Num_heavy_atoms: | 18 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
