Glycoside
GD120135
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 6-(hydroxymethyl)-5,8a-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C26H38O10Smiles:
CC12CCC(CO)C(C)(CCC3=CC(=O)OC3)C1CCC=C2C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(CO)C(C)(CCC3=CC(=O)OC3)C1CCC=C2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48226
Formula: C20H28O5
Smiles:
CC12CCC(CO)C(C)(CCC3=CC(=O)OC3)C1CCC=C2C(=O)O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
