Glycoside
GD013953
Name:
NoneFormula:
C29H31O13Smiles:
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(OC)C(O)C1OC)C(OC)C(C)(O)C3=OAglycone:
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 587.55 | Num_heavy_atoms: | 42 |
| TPSA: | 190.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD10340
Formula: C21H17O9
Smiles:
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 413.36 | Num_heavy_atoms: | 30 |
| TPSA: | 153.42 | NumAromaticRings: | 2 |
