Glycoside
GD136061
Name:
NoneFormula:
C36H32O19Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(OC2C(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)OC(C(=O)O)C(O)C2O)OC(C(=O)O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 768.63 | Num_heavy_atoms: | 55 |
| TPSA: | 309.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
