Glycoside
GD154441
Name:
3,4,5-trihydroxy-6-{[12-(2-hydroxyethyl)-14,15-dimethoxy-3-phenyl-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}-6-(hydroxymethyl)oxane-2-carboxylic acidFormula:
C32H34O13Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3c(cc(OC4(CO)OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1cc(CCO)c2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.61 | Num_heavy_atoms: | 45 |
| TPSA: | 193.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD47516
Formula: C25H24O6
Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.46 | Num_heavy_atoms: | 31 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
