Glycoside
GD121525
Name:
2-({14-hydroxy-5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11,13,15-hexaen-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H24O10Smiles:
COc1ccc2c(c1OC1OC(CO)C(O)C(O)C1O)OCC1c3ccc(O)cc3OC21Aglycone:
COc1ccc2c(c1O)OCC1c3ccc(O)cc3OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD48923
Formula: C16H14O5
Smiles:
COc1ccc2c(c1O)OCC1c3ccc(O)cc3OC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
