Glycoside
GD035783
Name:
NoneFormula:
C27H24O13Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC=Cc3ccc(O)c(O)c3)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12.OC=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.48 | Num_heavy_atoms: | 40 |
| TPSA: | 230.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD02582
Formula: C13H8O6
Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD22621
Formula: C8H8O3
Smiles:
OC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
