Glycoside
GD139734
Name:
4-(carboxymethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C25H28O13Smiles:
C=CC1C(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 209.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD20061
Formula: C10H12O6
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
