Glycoside
GD037167
Name:
NoneFormula:
C31H37O14NSmiles:
CCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
CC(=O)NC1C(OC2C(O)OC(C)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 647.63 | Num_heavy_atoms: | 46 |
| TPSA: | 241.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD17681
Formula: C17H14O5
Smiles:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
