Glycoside
GD133085
Name:
NoneFormula:
C29H36O16Smiles:
COC1=C[C]2[OH+]C(c3ccc(O)c(OC)c3)=C(OC3OC(CO)C(O)C(O)C3O)C=C2C(OC2OC(CO)C(O)C(O)C2O)=C1Aglycone:
COC1=CC2[OH+]C(c3ccc(O)c(OC)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 250.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD53875
Formula: C17H17O6
Smiles:
COC1=CC2[OH+]C(c3ccc(O)c(OC)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.32 | Num_heavy_atoms: | 23 |
| TPSA: | 91.95 | NumAromaticRings: | 1 |
