Glycoside
GD153825
Name:
NoneFormula:
C24H22O12Smiles:
O=C(O)[C]1C=C2C(OC3OC(CO)C(O)C(O)C3O)=C(c3ccc(O)cc3)[OH+]c3cc(O)cc(c32)O1Aglycone:
O=C(O)C1C=C2C(O)=C(c3ccc(O)cc3)[OH+]c3cc(O)cc(c32)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.43 | Num_heavy_atoms: | 36 |
| TPSA: | 199.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD61146
Formula: C18H13O7
Smiles:
O=C(O)C1C=C2C(O)=C(c3ccc(O)cc3)[OH+]c3cc(O)cc(c32)O1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 341.3 | Num_heavy_atoms: | 25 |
| TPSA: | 120.02 | NumAromaticRings: | 2 |
