Glycoside
GD121851
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]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C33H40O18Smiles:
CC(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(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)oc2cc(O)cc(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: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
