Glycoside
GD003143
Name:
NoneFormula:
C28H32O7N4Smiles:
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1CAglycone:
CCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.59 | Num_heavy_atoms: | 39 |
| TPSA: | 162.75 | NumAromaticRings: | 3 |
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 |
AD02886
Formula: C20H24O2N2
Smiles:
CCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.42 | Num_heavy_atoms: | 24 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
