Glycoside
GD134314
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,15-dioxatetracyclo[7.6.1.0²,â·.0¹³,¹â¶]hexadeca-1(16),2,4,6,8,10-hexaene-5,11,13-triolFormula:
C20H20O11Smiles:
OCC1OC(Oc2cc(O)cc3cc4c5c(c23)OCC5(O)OC(O)=C4)C(O)C(O)C1OAglycone:
OC1=Cc2cc3cc(O)cc(O)c3c3c2C(O)(CO3)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD54343
Formula: C14H10O6
Smiles:
OC1=Cc2cc3cc(O)cc(O)c3c3c2C(O)(CO3)O1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
