Glycoside
GD155886
Name:
2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-yl]oxy}-6-{[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C33H42O19Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c4C3)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
OC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 742.68 | Num_heavy_atoms: | 52 |
| TPSA: | 307.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD23470
Formula: C15H12O5
Smiles:
OC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
