Glycoside
GD131978
Name:
5-(benzyloxy)-6-({6-methoxy-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl}oxy)-2-methyloxane-3,4-diolFormula:
C23H34O9Smiles:
COC1OC(C)C2OC(C)(C)OC2C1OC1OC(C)C(O)C(O)C1OCc1ccccc1Aglycone:
COC1OC(C)C2OC(C)(C)OC2C1O.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.52 | Num_heavy_atoms: | 32 |
| TPSA: | 105.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD53442
Formula: C10H18O5
Smiles:
COC1OC(C)C2OC(C)(C)OC2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.25 | Num_heavy_atoms: | 15 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
