Glycoside
GD138304
Name:
NoneFormula:
C28H27O11NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(OC3OC(C)C(O)C(O)(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.52 | Num_heavy_atoms: | 40 |
| TPSA: | 192.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD55841
Formula: C22H17O6N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(O)c(C)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.38 | Num_heavy_atoms: | 29 |
| TPSA: | 113.26 | NumAromaticRings: | 2 |
