Glycoside
GD158355
Name:
NoneFormula:
C29H26O13Smiles:
OCC1OC(Oc2c3cc(=C4C=C[C](O)C=C4)oc4cc(O)cc([oH+]c2-c2cc(O)c(O)c(O)c2)c4-3)C(O)C(O)C1OAglycone:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4cc(O)c(O)c(O)c4)[oH+]c(c1)c2-3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.21 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 582.51 | Num_heavy_atoms: | 42 |
| TPSA: | 226.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD46799
Formula: C23H17O8
Smiles:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4cc(O)c(O)c(O)c4)[oH+]c(c1)c2-3| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 421.38 | Num_heavy_atoms: | 31 |
| TPSA: | 147.32 | NumAromaticRings: | 2 |
