Glycoside
GD117152
Name:
3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-7-[5-(1-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}ethyl)-3,4-dihydroxyoxolan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C33H40O17Smiles:
CC(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(C4OC(C(C)OC5OC(C(C)O)C(O)C5O)C(O)C4O)cc(O)c3c2=O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cccc(O)c12Sugarmoiety:
CC(O)C1OC(O)C(O)C1O.CC(O)C1OC(OC(C)C2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.67 | Num_heavy_atoms: | 50 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD11560
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cccc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
