Glycoside
GD008791
Name:
NoneFormula:
C24H36O15N2Smiles:
COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CN)O3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CN)O1.COc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -5.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 592.55 | Num_heavy_atoms: | 41 |
| TPSA: | 280.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD06976
Formula: C12H22O9N2
Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CN)O1| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 338.31 | Num_heavy_atoms: | 23 |
| TPSA: | 191.8 | NumAromaticRings: | 0 |
