Glycoside
GD132237
Name:
NoneFormula:
C27H33O16Smiles:
OCC1OC(OC2=C(c3ccc(OC4OC(C[OH2+])C(O)C(O)C4O)c(O)c3)OC3C=C(O)C=C(O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 271.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD44954
Formula: C15H12O6
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
