Glycoside
GD033784
Name:
NoneFormula:
C27H33O11NSmiles:
COC1=C[C@@H]2C3=C([C@H]2C1=O)[C@H](NC(C)=O)CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(OC)c13Aglycone:
COC1=CC2C3=C(C(NC(C)=O)CCc4cc(OC)c(O)c(OC)c43)C2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.56 | Num_heavy_atoms: | 39 |
| TPSA: | 173.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD21539
Formula: C21H23O6N
Smiles:
COC1=CC2C3=C(C(NC(C)=O)CCc4cc(OC)c(O)c(OC)c43)C2C1=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| TPSA: | 94.09 | NumAromaticRings: | 1 |
