Glycoside
GD139540
Name:
NoneFormula:
C34H45O19Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4=CC(O)=CC(OC5CC(C[OH2+])C(O)C(O)C5O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC(OC2CC(C[OH2+])C(O)C(O)C2O)C2=CC(O)=C(c3ccc(O)c(O)c3)OC2=C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 757.72 | Num_heavy_atoms: | 53 |
| TPSA: | 321.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD56269
Formula: C22H25O10
Smiles:
OC1=CC(OC2CC(C[OH2+])C(O)C(O)C2O)C2=CC(O)=C(c3ccc(O)c(O)c3)OC2=C1| HBA: | 10 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 449.43 | Num_heavy_atoms: | 32 |
| TPSA: | 182.97 | NumAromaticRings: | 1 |
