Glycoside
GD142110
Name:
7-methyl-3-oxo-octahydrocyclopenta[c]pyran-6-yl 4-(2,2-dimethoxyethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H40O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC(OC)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 572.6 | Num_heavy_atoms: | 40 |
| TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD57204
Formula: C21H30O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC(OC)OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
