Glycoside
GD119667
Name:
NoneFormula:
C35H36O16Smiles:
CC1OC(OCC2OC(Oc3c4cc(=C5C=C[C](O)C=C5)oc5cc(O)cc([oH+]c3-c3ccc(O)c(O)c3)c5-4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4ccc(O)c(O)c4)[oH+]c(c1)c2-3Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.34 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 712.66 | Num_heavy_atoms: | 51 |
| TPSA: | 265.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD46550
Formula: C23H17O7
Smiles:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4ccc(O)c(O)c4)[oH+]c(c1)c2-3| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.04 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 405.38 | Num_heavy_atoms: | 30 |
| TPSA: | 127.09 | NumAromaticRings: | 2 |
