Glycoside
GD031501
Name:
Oleracein DFormula:
C31H37O17NSmiles:
COc1cc(C=CC(=O)N2c3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)cc3C[C@H]2C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 695.63 | Num_heavy_atoms: | 49 |
| TPSA: | 285.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02472
Formula: C19H17O7N
Smiles:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.35 | Num_heavy_atoms: | 27 |
| TPSA: | 127.53 | NumAromaticRings: | 2 |
