Glycoside
GD135532
Name:
NoneFormula:
C34H44O19Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)[OH+]C4=CC(O)=C[C](OC5CC(CO)C(O)C(O)C5O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC1CC(OC2C=C(O)C=C3[OH+]C(c4ccc(O)c(O)c4)=C(O)C=C32)C(O)C(O)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 321.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD54801
Formula: C22H25O10
Smiles:
OCC1CC(OC2C=C(O)C=C3[OH+]C(c4ccc(O)c(O)c4)=C(O)C=C32)C(O)C(O)C1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 449.43 | Num_heavy_atoms: | 32 |
| TPSA: | 183.87 | NumAromaticRings: | 1 |
