Glycoside
GD157455
Name:
5,14-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,17-dioxatetracyclo[8.7.0.0³,â¸.0¹¹,¹â¶]heptadeca-3,5,7,11,13,15-hexaen-9-oneFormula:
C21H20O11Smiles:
O=C1c2c(cc(O)cc2OC2OC(CO)C(O)C(O)C2O)OC2Oc3cc(O)ccc3C12Aglycone:
O=C1c2c(O)cc(O)cc2OC2Oc3cc(O)ccc3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD62249
Formula: C15H10O6
Smiles:
O=C1c2c(O)cc(O)cc2OC2Oc3cc(O)ccc3C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
