Glycoside
GD143239
Name:
3,4,5,15-tetrahydroxy-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(18),2(7),3,5,10,12,14,16-octaen-8-oneFormula:
C23H20O12Smiles:
O=c1oc2c3cccc(O)c3c(OC3OC(CO)C(O)C(O)C3O)cc2c2c(O)c(O)c(O)cc12Aglycone:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.4 | Num_heavy_atoms: | 35 |
| TPSA: | 210.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD48003
Formula: C17H10O7
Smiles:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 326.26 | Num_heavy_atoms: | 24 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
