Glycoside
GD147836
Name:
methyl 3-formyl-2-methyl-4-[2-oxo-2-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O12Smiles:
COC(=O)C1=COC(C)C(C=O)C1CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)CC1C(C(=O)OC)=COC(C)C1C=O.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 178.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD59186
Formula: C12H16O6
Smiles:
COC(=O)CC1C(C(=O)OC)=COC(C)C1C=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
