Glycoside
GD154510
Name:
methyl 6-{[2-(benzyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C20H28O12Smiles:
COC(=O)C1OC(OC2C(O)C(CO)OC(OCc3ccccc3)C2O)C(O)C(O)C1OAglycone:
OCc1ccccc1Sugarmoiety:
COC(=O)C1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 184.6 | 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 |
