Glycoside
GD116309
Name:
NoneFormula:
C27H32O15Smiles:
OCC1OC(OCC2OC(Oc3cc(O)c4c(c3)[OH+][C](c3ccc(O)c(O)c3)C=C4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)[OH+]C(c1ccc(O)c(O)c1)C=C2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 252.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD46157
Formula: C15H13O5
Smiles:
Oc1cc(O)c2c(c1)[OH+]C(c1ccc(O)c(O)c1)C=C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 2 |
