Glycoside
GD125186
Name:
NoneFormula:
C31H38O15Smiles:
CC=CO[C]1C=CC(=C2[OH+]c3cc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc(O)c3C=C2O)C=C1CAglycone:
CC=COC1C=CC(=C2[OH+]c3cc(O)cc(O)c3C=C2O)C=C1CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.63 | Num_heavy_atoms: | 46 |
| TPSA: | 241.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD50620
Formula: C19H19O5
Smiles:
CC=COC1C=CC(=C2[OH+]c3cc(O)cc(O)c3C=C2O)C=C1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.36 | Num_heavy_atoms: | 24 |
| TPSA: | 82.72 | NumAromaticRings: | 1 |
