Glycoside
GD152511
Name:
NoneFormula:
C27H33O17Smiles:
OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)OC3C=C(O)C(OC4OC(C[OH2+])C(O)C(O)C4O)=CC3=C2)C(O)C(O)C1OAglycone:
OC1=CC2=CC(O)=C(c3cc(O)c(O)c(O)c3)OC2C=C1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.48 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 629.54 | Num_heavy_atoms: | 44 |
| TPSA: | 291.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD60721
Formula: C15H12O7
Smiles:
OC1=CC2=CC(O)=C(c3cc(O)c(O)c(O)c3)OC2C=C1O| 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 |
