Glycoside
GD134136
Name:
NoneFormula:
C32H41O21Smiles:
OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)OC3C=C(O)C=C(OC4OC(C[OH2+])C(O)C(O)C4O)C3=C2)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.56 |
| AlogP: | -5.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 761.66 | Num_heavy_atoms: | 53 |
| TPSA: | 350.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD45076
Formula: C15H12O7
Smiles:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
