Glycoside
GD130926
Name:
NoneFormula:
C32H40O20Smiles:
OCC1OC(OC2=C[C](O)C3=CC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)=C(c4ccc(O)c(O)c4)[OH+]C3=C2)C(O)C(O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.53 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 744.65 | Num_heavy_atoms: | 52 |
| TPSA: | 331.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD45227
Formula: C15H13O6
Smiles:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
