Glycoside
GD129873
Name:
6-[(4,5-dihydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H28O15Smiles:
COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.45 | Num_heavy_atoms: | 37 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
