Glycoside
GD129107
Name:
2-chloro-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C28H31O15ClSmiles:
CC1OC(OCC2OC(Cl)(OC3=C(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
CC1OC(OCC2OC(O)(Cl)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.98 | Num_heavy_atoms: | 43 |
| TPSA: | 248.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD17890
Formula: C15H12O6
Smiles:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
