Glycoside
GD033847
Name:
NoneFormula:
C21H25O7N3Smiles:
Cc1ccc(OC2CCN(C(=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)CC2)cc1Aglycone:
Cc1ccc(OC2CCN(C=O)CC2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 134.09 | 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 |
AD11249
Formula: C13H17O2N
Smiles:
Cc1ccc(OC2CCN(C=O)CC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.28 | Num_heavy_atoms: | 16 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
