Glycoside
GD013567
Name:
NoneFormula:
C31H40O17Smiles:
COc1cc(C=CC(=O)OC[C@@]23O[C@H]2[C@H](OC2OC(C)C(O)C(O)C2O)C2C=CO[C@H](OC4OC(CO)C(O)C(O)C4O)C23)ccc1OAglycone:
COc1cc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.64 | Num_heavy_atoms: | 48 |
| TPSA: | 256.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD10100
Formula: C19H20O8
Smiles:
COc1cc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
