Glycoside
GD020856
Name:
NoneFormula:
C47H74O27N2Smiles:
COC(=O)CCCCCCCCOC1O[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(=O)c1ccc(OC)c(OC)c1Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.COC(=O)CCCCCCCCO.COc1ccc(C(N)=O)cc1OCSugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.79 |
| AlogP: | -5.03 | Num_rotatable_bonds: | 26 |
| MolWt: | 1099.1 | Num_heavy_atoms: | 76 |
| TPSA: | 436.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00077
Formula: C11H19O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
AD00933
Formula: C10H20O3
Smiles:
COC(=O)CCCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD00934
Formula: C9H11O3N
Smiles:
COc1ccc(C(N)=O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
