Glycoside
GD154301
Name:
2-(hydroxymethyl)-6-({5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11,13,15-hexaen-14-yl}oxy)oxane-3,4,5-triolFormula:
C22H24O9Smiles:
COc1ccc2c(c1)OCC1c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3OC21Aglycone:
COc1ccc2c(c1)OCC1c3ccc(O)cc3OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD61306
Formula: C16H14O4
Smiles:
COc1ccc2c(c1)OCC1c3ccc(O)cc3OC21| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
