Glycoside
GD154174
Name:
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C27H32O15Smiles:
O=C(C=Cc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O)OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1cc(O)ccc1O.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD49470
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
