Glycoside
GD141709
Name:
NoneFormula:
C32H40O20Smiles:
CC1OC(OC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.65 | Num_heavy_atoms: | 52 |
| TPSA: | 327.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
