Glycoside
GD157329
Name:
2-{[2-({14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C28H34O14Smiles:
COc1ccc2c(c1OC)OC1c3ccc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OCC21Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 195.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD42327
Formula: C17H16O5
Smiles:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OCC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
