Glycoside
GD033814
Name:
NoneFormula:
C22H28O6N4Smiles:
O=C(CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NC1CCN(Cc2ccccc2)C1Aglycone:
CCC(=O)NC1CCN(Cc2ccccc2)C1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.49 | Num_heavy_atoms: | 32 |
| TPSA: | 136.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21558
Formula: C14H20ON2
Smiles:
CCC(=O)NC1CCN(Cc2ccccc2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.33 | Num_heavy_atoms: | 17 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
