Glycoside
GD021987
Name:
NoneFormula:
C22H26O7N4Smiles:
COc1ccc(N2CCN(C(=O)C=C[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)CC2)cc1Aglycone:
C=CC(=O)N1CCN(c2ccc(OC)cc2)CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.47 | Num_heavy_atoms: | 33 |
| TPSA: | 137.33 | 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 |
AD14960
Formula: C14H18O2N2
Smiles:
C=CC(=O)N1CCN(c2ccc(OC)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
