Glycoside
GD127472
Name:
methyl 5-(furan-3-yl)-7,9-dimethyl-3-oxo-8-{4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butyl}-4,11-dioxatricyclo[7.2.1.0²,â·]dodecane-10-carboxylateFormula:
C28H40O11Smiles:
COC(=O)C1OC2CC1(C)C(CCCCC1OC(CO)C(O)C(O)C1O)C1(C)CC(c3ccoc3)OC(=O)C21Aglycone:
CCCCC1C2(C)CC(OC2C(=O)OC)C2C(=O)OC(c3ccoc3)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD51621
Formula: C22H30O6
Smiles:
CCCCC1C2(C)CC(OC2C(=O)OC)C2C(=O)OC(c3ccoc3)CC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 74.97 | NumAromaticRings: | 1 |
