Glycoside
GD022505
Name:
NoneFormula:
C31H38O17Smiles:
COc1cc(-c2coc3c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc(C)c1OAglycone:
COc1cc(-c2coc3c(OC)c(O)c(OC)c(O)c3c2=O)cc(C)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD15244
Formula: C19H18O8
Smiles:
COc1cc(-c2coc3c(OC)c(O)c(OC)c(O)c3c2=O)cc(C)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
